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

InChI

InChI=1S/C13H14N2O3S/c1-18-12-6-4-11(5-7-12)15-19(16,17)13-8-2-10(14)3-9-13/h2-9,15H,14H2,1H3

InChI Key

PKCILPHWDZXVQT-UHFFFAOYSA-N

Formula

C13H14N2O3S

SMILES

COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1

Molecular Weight¹

278.33

• 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	[269.82; 607.47]	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			1.58800e+01
Coefficient B			1.07051e+00
Coefficient C			-5.27120e-04
Coefficient D			4.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.82	J/mol×K	273.00	Calculated Property
Cp,gas	330.76	J/mol×K	353.78	Calculated Property
Cp,gas	385.49	J/mol×K	434.56	Calculated Property
Cp,gas	434.16	J/mol×K	515.33	Calculated Property
Cp,gas	476.92	J/mol×K	596.11	Calculated Property
Cp,gas	513.93	J/mol×K	676.89	Calculated Property
Cp,gas	545.34	J/mol×K	757.67	Calculated Property
Cp,gas	571.29	J/mol×K	838.44	Calculated Property
Cp,gas	591.95	J/mol×K	919.22	Calculated Property
Cp,gas	607.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-amino-N-(4-methoxyphenyl)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

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