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

Benzoic acid, 2-[[[4-[(acetylamino)sulfonyl]phenyl]amino]carbonyl]-

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
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Physical Properties

Property Value Unit Source
ΔfusH° 59.42 kJ/mol Joback Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -2.52 Aq. Solubility Prediction
logPoct/wat 1.462 Crippen Calculated Property
McVol 247.410 ml/mol McGowan Calculated Property
Tboil 708.51 K Relay (1.0) Calculated Property
Tfus 491.06 K Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [738.85; 758.41] J/mol×K [1030.37; 1274.38] Show Hide
Cp,gas 738.85 J/mol×K 1030.37 Joback Calculated Property
Cp,gas 744.93 J/mol×K 1071.04 Joback Calculated Property
Cp,gas 749.81 J/mol×K 1111.71 Joback Calculated Property
Cp,gas 753.54 J/mol×K 1152.38 Joback Calculated Property
Cp,gas 756.17 J/mol×K 1193.04 Joback Calculated Property
Cp,gas 757.78 J/mol×K 1233.71 Joback Calculated Property
Cp,gas 758.41 J/mol×K 1274.38 Joback Calculated Property

Similar Compounds

Phthalylsulfathiazole. PHTHALYLSULPHATHIAZOLE. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Pumiline A. inosine-5'-monophosphate, TMS. Quinine, trimethylsilyl ether. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. risperidone. Benazepril Me. xanthosine-5'-monophosphate, TMS. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Gelsemine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane.

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

Sources

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