ChemSpider 2D Image | 3,4-Difluoro-N-{trans-4-[4-(2-isopropoxyphenyl)-1-piperidinyl]cyclohexyl}benzenesulfonamide | C26H34F2N2O3S

3,4-Difluoro-N-{trans-4-[4-(2-isopropoxyphenyl)-1-piperidinyl]cyclohexyl}benzenesulfonamide

  • Molecular FormulaC26H34F2N2O3S
  • Average mass492.622 Da
  • Monoisotopic mass492.225830 Da
  • ChemSpider ID23286746

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,4-Difluor-N-{trans-4-[4-(2-isopropoxyphenyl)-1-piperidinyl]cyclohexyl}benzolsulfonamid [German] [ACD/IUPAC Name]
3,4-difluoro-N-(trans-4-{4-[2-(propan-2-yloxy)phenyl]piperidin-1-yl}cyclohexyl)benzenesulfonamide
3,4-Difluoro-N-{trans-4-[4-(2-isopropoxyphenyl)-1-piperidinyl]cyclohexyl}benzenesulfonamide [ACD/IUPAC Name]
3,4-Difluoro-N-{trans-4-[4-(2-isopropoxyphényl)-1-pipéridinyl]cyclohexyl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3,4-difluoro-N-[trans-4-[4-[2-(1-methylethoxy)phenyl]-1-piperidinyl]cyclohexyl]- [ACD/Index Name]
3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CHEMBL229084

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

Density: 1.3±0.1 g/cm3
Boiling Point: 583.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.8±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 5.77
ACD/KOC (pH 5.5): 17.13
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 97.11
ACD/KOC (pH 7.4): 288.36
Polar Surface Area: 67 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 390.6±5.0 cm3

Click to predict properties on the Chemicalize site


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