ChemSpider 2D Image | 5-({[2-(Methylsulfonyl)phenyl]sulfonyl}amino)-2-(4-thiomorpholinyl)benzoic acid | C18H20N2O6S3

5-({[2-(Methylsulfonyl)phenyl]sulfonyl}amino)-2-(4-thiomorpholinyl)benzoic acid

  • Molecular FormulaC18H20N2O6S3
  • Average mass456.556 Da
  • Monoisotopic mass456.048340 Da
  • ChemSpider ID70306466

More details:

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

5-({[2-(Methylsulfonyl)phenyl]sulfonyl}amino)-2-(4-thiomorpholinyl)benzoesäure [German] [ACD/IUPAC Name]
5-({[2-(Methylsulfonyl)phenyl]sulfonyl}amino)-2-(4-thiomorpholinyl)benzoic acid [ACD/IUPAC Name]
Acide 5-({[2-(méthylsulfonyl)phényl]sulfonyl}amino)-2-(4-thiomorpholinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[[2-(methylsulfonyl)phenyl]sulfonyl]amino]-2-(4-thiomorpholinyl)- [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: 746.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.3±35.7 °C
Index of Refraction: 1.657
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.69
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 304.6±3.0 cm3

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