ChemSpider 2D Image | Methyl 4-(3-{[(2-chlorophenyl)sulfonyl](cyclohexyl)amino}propoxy)benzoate | C23H28ClNO5S

Methyl 4-(3-{[(2-chlorophenyl)sulfonyl](cyclohexyl)amino}propoxy)benzoate

  • Molecular FormulaC23H28ClNO5S
  • Average mass465.990 Da
  • Monoisotopic mass465.137665 Da
  • ChemSpider ID59165365

More details:

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

4-(3-{[(2-Chlorophényl)sulfonyl](cyclohexyl)amino}propoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[[(2-chlorophenyl)sulfonyl]cyclohexylamino]propoxy]-, methyl ester [ACD/Index Name]
Methyl 4-(3-{[(2-chlorophenyl)sulfonyl](cyclohexyl)amino}propoxy)benzoate [ACD/IUPAC Name]
Methyl-4-(3-{[(2-chlorphenyl)sulfonyl](cyclohexyl)amino}propoxy)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.0±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10901.28
ACD/KOC (pH 5.5): 27015.65
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10901.28
ACD/KOC (pH 7.4): 27015.65
Polar Surface Area: 81 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 356.5±5.0 cm3

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