ChemSpider 2D Image | N-{(1R,2S)-2-[4-(2-Methoxyphenyl)-1-piperazinyl]cyclohexyl}benzenesulfonamide | C23H31N3O3S

N-{(1R,2S)-2-[4-(2-Methoxyphenyl)-1-piperazinyl]cyclohexyl}benzenesulfonamide

  • Molecular FormulaC23H31N3O3S
  • Average mass429.576 Da
  • Monoisotopic mass429.208618 Da
  • ChemSpider ID57827851

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(1R,2S)-2-[4-(2-methoxyphenyl)-1-piperazinyl]cyclohexyl]- [ACD/Index Name]
N-{(1R,2S)-2-[4-(2-Methoxyphenyl)-1-piperazinyl]cyclohexyl}benzenesulfonamide [ACD/IUPAC Name]
N-{(1R,2S)-2-[4-(2-Méthoxyphényl)-1-pipérazinyl]cyclohexyl}benzènesulfonamide [French] [ACD/IUPAC Name]
N-{(1R,2S)-2-[4-(2-Methoxyphenyl)-1-piperazinyl]cyclohexyl}benzolsulfonamid [German] [ACD/IUPAC Name]
N-((1R,2S)-2-(4-(2-methoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.2±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 8.20
ACD/KOC (pH 5.5): 48.93
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 260.06
ACD/KOC (pH 7.4): 1552.10
Polar Surface Area: 70 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 338.4±5.0 cm3

Click to predict properties on the Chemicalize site


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