Chemical Properties of Benzoic acid, 2-[[[4-[(acetylamino)sulfonyl]phenyl]amino]carbonyl]- (CAS 131-69-1)

InChI

InChI=1S/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22)

InChI Key

SNWQKAWITMVCQW-UHFFFAOYSA-N

Formula

C16H14N2O6S

SMILES

CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1

Molecular Weight¹

362.36

CAS

131-69-1

Other Names

• 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid
• 4'-(Acetylsulfamoyl)phthalanilic acid
• 4'-(Acetylsulfamyl)phthalanilic acid
• Enterocid
• Enterosulfamid
• Enterosulfon
• Enterosulphamid
• Ftalicetimida
• Kalacet
• N-(4-(acetylsulphamoyl)phenyl)phthalamic acid
• N-(o-Carboxybenzoyl)sulfacetamide
• N1-Acetyl-N4-phthalylsulfanilamide
• NSC 163977
• Phthalanilic acid, 4'-(acetylsulfamoyl)-
• Phthaloylsulfacetamide
• Phthalylsulfacetamide
• Phthalylsulfacetimide
• Phthalylsulphacetamide
• Phthalylthioacetamide
• Rabalan
• Sterathal
• Sulphalyl
• TSC-80
• TSC-80 Medicated
• Talasulfa
• Talecid
• Talicetimida
• Talsigel
• Talsutin
• Tamid
• Thalajen
• Thalamyd
• Thalisul
• Thalocid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of vaporization 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	[329.34; 733.48]	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			-7.30000e-01
Coefficient B			1.42781e+00
Coefficient C			-8.41720e-04
Coefficient D			1.48120e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.34	J/mol×K	273.00	Calculated Property
Cp,gas	405.61	J/mol×K	353.78	Calculated Property
Cp,gas	472.94	J/mol×K	434.56	Calculated Property
Cp,gas	531.80	J/mol×K	515.33	Calculated Property
Cp,gas	582.68	J/mol×K	596.11	Calculated Property
Cp,gas	626.02	J/mol×K	676.89	Calculated Property
Cp,gas	662.30	J/mol×K	757.67	Calculated Property
Cp,gas	691.99	J/mol×K	838.44	Calculated Property
Cp,gas	715.56	J/mol×K	919.22	Calculated Property
Cp,gas	733.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-[[[4-[(acetylamino)sulfonyl]phenyl]amino]carbonyl]-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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