4-amino-N-(4-cyanophenyl)benzenesulfonamide

InChI: InChI=1S/C13H11N3O2S/c14-9-10-1-5-12(6-2-10)16-19(17,18)13-7-3-11(15)4-8-13/h1-8,16H,15H2
InChI Key: PLPNDNWDSGFETI-UHFFFAOYSA-N
Formula: C13H11N3O2S
SMILES: N#Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
Molecular Weight¹: 273.32

ω : Acentric Factor.
C_p,gas : Ideal gas heat capacity (J/mol×K).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
P_sub : Sublimation pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.7722		Relay (1.0) Calculated Property
Δ_fG°	84.62	kJ/mol	Joback Calculated Property
Δ_fH°_gas	2.29	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	[30.90; 30.90]	kJ/mol
Δ_fusH°	30.90	kJ/mol	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
Δ_fusH°	30.90 ± 0.50	kJ/mol	Impact of Sulfonamide Structure on Solubility and Transfer Processes in Biologically Relevant Solvents
Δ_vapH°	117.01	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log₁₀WS	-3.48		Relay (1.0) Calculated Property
logP_oct/wat	1.941		Crippen Calculated Property
McVol	195.940	ml/mol	McGowan Calculated Property
P_c	3745.38	kPa	Joback Calculated Property
T_boil	706.69	K	Relay (1.0) Calculated Property
T_c	1052.76	K	Relay (1.0) Calculated Property
T_fus	[451.50; 451.60]	K
T_fus	451.50	K	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
T_fus	451.60 ± 0.20	K	Impact of Sulfonamide Structure on Solubility and Transfer Processes in Biologically Relevant Solvents
V_c	0.672	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[531.98; 575.13]	J/mol×K	[832.72; 1081.12]

C_p,gas	531.98	J/mol×K	832.72	Joback Calculated Property
C_p,gas	542.06	J/mol×K	874.12	Joback Calculated Property
C_p,gas	550.93	J/mol×K	915.52	Joback Calculated Property
C_p,gas	558.64	J/mol×K	956.92	Joback Calculated Property
C_p,gas	565.21	J/mol×K	998.32	Joback Calculated Property
C_p,gas	570.69	J/mol×K	1039.72	Joback Calculated Property
C_p,gas	575.13	J/mol×K	1081.12	Joback Calculated Property
P_sub	[6.74e-06; 4.37e-05]	kPa	[420.15; 437.55]

P_sub	6.74e-06	kPa	420.15	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	7.23e-06	kPa	420.95	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	7.91e-06	kPa	421.35	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	1.13e-05	kPa	424.75	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	1.36e-05	kPa	426.55	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	1.66e-05	kPa	428.35	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	1.94e-05	kPa	429.65	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	2.11e-05	kPa	431.35	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	2.28e-05	kPa	431.75	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	2.33e-05	kPa	432.35	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	2.63e-05	kPa	433.05	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	3.17e-05	kPa	434.75	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	3.58e-05	kPa	435.75	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	4.24e-05	kPa	437.15	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
P_sub	4.37e-05	kPa	437.55	Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides

Similar Compounds

4-[(4-aminophenyl)sulfonylamino]benzenesulfonamide.

4-amino-N-(4-chlorophenyl)benzenesulfonamide.

Benzenesulfonamide, 4-methyl-N-(4-methylphenyl)-.

4-amino-N-(4-nitrophenyl)benzenesulfonamide.

Benzenesulfonamide, 4-amino-N-(3,4-dichlorophenyl)-.

Aniline, n,n-dimethyl-p-(p-cyanophenylsulfonamido)-.

4-amino-N-(4-methoxyphenyl)benzenesulfonamide.

Benzenesulfonamide, 4-amino-N-(4-methoxyphenyl)-.

Aniline, n,n-dimethyl-p-(p-tolylsulfonamido)-.

Find more compounds similar to 4-amino-N-(4-cyanophenyl)benzenesulfonamide.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.

Chemical Properties of 4-amino-N-(4-cyanophenyl)benzenesulfonamide

Physical Properties

Temperature Dependent Properties

Similar Compounds

Sources