ChemSpider 2D Image | 3-{[5-(Dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl}-4-methylbenzoic acid | C16H18N2O7S2

3-{[5-(Dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl}-4-methylbenzoic acid

  • Molecular FormulaC16H18N2O7S2
  • Average mass414.453 Da
  • Monoisotopic mass414.055542 Da
  • ChemSpider ID21986189

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-{[5-(Dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl}-4-methylbenzoesäure [German] [ACD/IUPAC Name]
3-{[5-(Dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl}-4-methylbenzoic acid [ACD/IUPAC Name]
Acide 3-{[5-(diméthylsulfamoyl)-2-hydroxyphényl]sulfamoyl}-4-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[5-[(dimethylamino)sulfonyl]-2-hydroxyphenyl]amino]sulfonyl]-4-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 655.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 349.9±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.03
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 271.3±3.0 cm3

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