ChemSpider 2D Image | 4-({[2-Methoxy-5-(methylsulfonyl)phenyl]sulfonyl}amino)cyclohexanecarboxylic acid | C15H21NO7S2

4-({[2-Methoxy-5-(methylsulfonyl)phenyl]sulfonyl}amino)cyclohexanecarboxylic acid

  • Molecular FormulaC15H21NO7S2
  • Average mass391.460 Da
  • Monoisotopic mass391.075928 Da
  • ChemSpider ID54726124

More details:

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

4-({[2-Methoxy-5-(methylsulfonyl)phenyl]sulfonyl}amino)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-({[2-Methoxy-5-(methylsulfonyl)phenyl]sulfonyl}amino)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-({[2-méthoxy-5-(méthylsulfonyl)phényl]sulfonyl}amino)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[2-methoxy-5-(methylsulfonyl)phenyl]sulfonyl]amino]- [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: 664.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 355.5±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.29
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 266.3±5.0 cm3

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