Chemical Properties of 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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.80; 565.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.38000e+00
Coefficient B			1.06849e+00
Coefficient C			-6.07120e-04
Coefficient D			9.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.80	J/mol×K	273.00	Calculated Property
Cp,gas	313.68	J/mol×K	353.78	Calculated Property
Cp,gas	364.99	J/mol×K	434.56	Calculated Property
Cp,gas	410.01	J/mol×K	515.33	Calculated Property
Cp,gas	449.06	J/mol×K	596.11	Calculated Property
Cp,gas	482.45	J/mol×K	676.89	Calculated Property
Cp,gas	510.48	J/mol×K	757.67	Calculated Property
Cp,gas	533.45	J/mol×K	838.44	Calculated Property
Cp,gas	551.67	J/mol×K	919.22	Calculated Property
Cp,gas	565.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Mixtures

• Water + 4-amino-N-(4-cyanophenyl)benzenesulfonamide
• 1-Octanol + 4-amino-N-(4-cyanophenyl)benzenesulfonamide

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
• Octanol/Water Partition Coefficients of Sulfonamides: Experimental Determination and Calculation Using Physicochemical Descriptors
• Joback Method
• McGowan Method

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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