ChemSpider 2D Image | 4-Propoxy-3-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoic acid | C16H18N2O7S2

4-Propoxy-3-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoic acid

  • Molecular FormulaC16H18N2O7S2
  • Average mass414.453 Da
  • Monoisotopic mass414.055542 Da
  • ChemSpider ID30290236

More details:

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

4-Propoxy-3-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-Propoxy-3-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-propoxy-3-{[(4-sulfamoylphényl)sulfonyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[4-(aminosulfonyl)phenyl]sulfonyl]amino]-4-propoxy- [ACD/Index Name]
4-PROPOXY-3-(4-SULFAMOYLBENZENESULFONAMIDO)BENZOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 649.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.3±34.3 °C
Index of Refraction: 1.628
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: 2.80
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.41
ACD/LogD (pH 7.4): -1.04
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: 66.9±3.0 dyne/cm
Molar Volume: 277.0±3.0 cm3

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