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

InChI

InChI=1S/C12H11ClN2O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,14H2

InChI Key

RBJGYDGKXTYSSL-UHFFFAOYSA-N

Formula

C12H11ClN2O2S

SMILES

Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1

Molecular Weight¹

282.75

• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[246.61; 545.65]	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			4.18000e+00
Coefficient B			1.04549e+00
Coefficient C			-6.04120e-04
Coefficient D			1.00100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.61	J/mol×K	273.00	Calculated Property
Cp,gas	302.87	J/mol×K	353.78	Calculated Property
Cp,gas	352.64	J/mol×K	434.56	Calculated Property
Cp,gas	396.22	J/mol×K	515.33	Calculated Property
Cp,gas	433.94	J/mol×K	596.11	Calculated Property
Cp,gas	466.11	J/mol×K	676.89	Calculated Property
Cp,gas	493.05	J/mol×K	757.67	Calculated Property
Cp,gas	515.08	J/mol×K	838.44	Calculated Property
Cp,gas	532.50	J/mol×K	919.22	Calculated Property
Cp,gas	545.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-amino-N-(4-chlorophenyl)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
• Impact of Sulfonamide Structure on Solubility and Transfer Processes in Biologically Relevant Solvents
• Octanol/Water Partition Coefficients of Sulfonamides: Experimental Determination and Calculation Using Physicochemical Descriptors
• Joback Method
• McGowan Method

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