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
ω 1.0880 Relay (1.0) Calculated Property
ΔfG° -523.94 kJ/mol Joback Calculated Property
ΔfH°gas -829.82 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 54.96 kJ/mol Joback Calculated Property
ΔvapH° 145.81 kJ/mol Relay (1.0) 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
Pc 3628.97 kPa Joback Calculated Property
Tboil 708.51 K Relay (1.0) Calculated Property
Tc 1124.64 K Relay (1.0) Calculated Property
Tfus 489.49 K Relay (1.0) Calculated Property
Vc 0.849 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [735.65; 752.03] J/mol×K [1030.71; 1267.10] Show Hide
Cp,gas 735.65 J/mol×K 1030.71 Joback Calculated Property
Cp,gas 741.28 J/mol×K 1070.11 Joback Calculated Property
Cp,gas 745.68 J/mol×K 1109.51 Joback Calculated Property
Cp,gas 748.92 J/mol×K 1148.90 Joback Calculated Property
Cp,gas 751.02 J/mol×K 1188.30 Joback Calculated Property
Cp,gas 752.03 J/mol×K 1227.70 Joback Calculated Property
Cp,gas 752.01 J/mol×K 1267.10 Joback Calculated Property

Similar Compounds

Phthalylsulfathiazole. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Axillarine. Gelsemine. risperidone. (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. Quinine, trimethylsilyl ether. Benazepril Me. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Mucronatinine. inosine-5'-monophosphate, TMS. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. xanthosine-5'-monophosphate, TMS. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

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

Sources

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