ChemSpider 2D Image | 3-(Methylsulfonyl)-5-{[(pentylsulfonyl)acetyl]amino}benzoic acid | C15H21NO7S2

3-(Methylsulfonyl)-5-{[(pentylsulfonyl)acetyl]amino}benzoic acid

  • Molecular FormulaC15H21NO7S2
  • Average mass391.460 Da
  • Monoisotopic mass391.075928 Da
  • ChemSpider ID54344328

More details:

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

3-(Methylsulfonyl)-5-{[(pentylsulfonyl)acetyl]amino}benzoesäure [German] [ACD/IUPAC Name]
3-(Methylsulfonyl)-5-{[(pentylsulfonyl)acetyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 3-(méthylsulfonyl)-5-{[2-(pentylsulfonyl)acétyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(methylsulfonyl)-5-[[2-(pentylsulfonyl)acetyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.6±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 280.4±3.0 cm3

Click to predict properties on the Chemicalize site


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