ChemSpider 2D Image | 3-{4-[(4-Methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl}propanoic acid | C16H18N2O7S2

3-{4-[(4-Methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl}propanoic acid

  • Molecular FormulaC16H18N2O7S2
  • Average mass414.453 Da
  • Monoisotopic mass414.055542 Da
  • ChemSpider ID22012444

More details:

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

3-{4-[(4-Methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl}propanoic acid [ACD/IUPAC Name]
3-{4-[(4-Methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{4-[(4-méthoxy-3-sulfamoylphényl)sulfamoyl]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[[[3-(aminosulfonyl)-4-methoxyphenyl]amino]sulfonyl]- [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: 680.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.4±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.04
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 275.5±3.0 cm3

Click to predict properties on the Chemicalize site


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