ChemSpider 2D Image | N-[(trans-4-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]-2-thiophenesulfonamide | C24H33N3O3S2

N-[(trans-4-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]-2-thiophenesulfonamide

  • Molecular FormulaC24H33N3O3S2
  • Average mass475.667 Da
  • Monoisotopic mass475.196320 Da
  • ChemSpider ID62584405

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenesulfonamide, N-[[trans-4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl]cyclohexyl]methyl]- [ACD/Index Name]
N-[(trans-4-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]-2-thiophenesulfonamide [ACD/IUPAC Name]
N-[(trans-4-{[4-(2,5-Diméthylphényl)-1-pipérazinyl]carbonyl}cyclohexyl)méthyl]-2-thiophènesulfonamide [French] [ACD/IUPAC Name]
N-[(trans-4-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]-2-thiophensulfonamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 677.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 582.00
ACD/KOC (pH 5.5): 3303.64
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 590.09
ACD/KOC (pH 7.4): 3349.53
Polar Surface Area: 106 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

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