ChemSpider 2D Image | Methyl 4-{[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl}benzoate | C16H18N2O7S2

Methyl 4-{[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl}benzoate

  • Molecular FormulaC16H18N2O7S2
  • Average mass414.453 Da
  • Monoisotopic mass414.055542 Da
  • ChemSpider ID21971203

More details:

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

4-{[5-(Diméthylsulfamoyl)-2-hydroxyphényl]sulfamoyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[5-[(dimethylamino)sulfonyl]-2-hydroxyphenyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl}benzoat [German] [ACD/IUPAC 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: 591.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 311.4±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 98.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.62
ACD/KOC (pH 5.5): 349.14
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 4.83
ACD/KOC (pH 7.4): 65.80
Polar Surface Area: 147 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 280.4±3.0 cm3

Click to predict properties on the Chemicalize site


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