Chemical Properties of Benzenesulfonamide, 5-amino-2-methyl-N-phenyl- (CAS 79-72-1)

InChI

InChI=1S/C13H14N2O2S/c1-10-7-8-11(14)9-13(10)18(16,17)15-12-5-3-2-4-6-12/h2-9,15H,14H2,1H3

InChI Key

HCAKHJQTCPZXPR-UHFFFAOYSA-N

Formula

C13H14N2O2S

SMILES

Cc1ccc(N)cc1S(=O)(=O)Nc1ccccc1

Molecular Weight¹

262.33

CAS

79-72-1

Other Names

• o-Toluenesulfonanilide, 5-amino-
• 5-Amino-o-toluenesulfonanilide
• 5-Amino-2-toluenesulfonanilide
• 5-Amino-ortho-toluenesulfonanilide
• 4-aminotoluene-2-sulphonanilide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[254.42; 588.97]	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			-9.62000e+00
Coefficient B			1.13371e+00
Coefficient C			-6.38120e-04
Coefficient D			1.03000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.42	J/mol×K	273.00	Calculated Property
Cp,gas	316.16	J/mol×K	353.78	Calculated Property
Cp,gas	370.99	J/mol×K	434.56	Calculated Property
Cp,gas	419.25	J/mol×K	515.33	Calculated Property
Cp,gas	461.26	J/mol×K	596.11	Calculated Property
Cp,gas	497.35	J/mol×K	676.89	Calculated Property
Cp,gas	527.84	J/mol×K	757.67	Calculated Property
Cp,gas	553.05	J/mol×K	838.44	Calculated Property
Cp,gas	573.32	J/mol×K	919.22	Calculated Property
Cp,gas	588.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonamide, 5-amino-2-methyl-N-phenyl-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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