ChemSpider 2D Image | N-[(2S)-2-(4'-Cyano-4-biphenylyl)propyl]-2-propanesulfonamide | C19H22N2O2S

N-[(2S)-2-(4'-Cyano-4-biphenylyl)propyl]-2-propanesulfonamide

  • Molecular FormulaC19H22N2O2S
  • Average mass342.455 Da
  • Monoisotopic mass342.140198 Da
  • ChemSpider ID25058165
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Propanesulfonamide, N-[(2S)-2-(4'-cyano[1,1'-biphenyl]-4-yl)propyl]- [ACD/Index Name]
N-[(2S)-2-(4'-Cyan-4-biphenylyl)propyl]-2-propansulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-2-(4'-Cyano-4-biphenylyl)propyl]-2-propanesulfonamide [ACD/IUPAC Name]
N-[(2S)-2-(4'-Cyano-4-biphénylyl)propyl]-2-propanesulfonamide [French] [ACD/IUPAC Name]
N-[(2s)-2-(4'-Cyanobiphenyl-4-Yl)propyl]propane-2-Sulfonamide
211311-95-4 [RN]
LY-404187
LY7
UNII-75W6I8W6OU

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.7±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 410.77
ACD/KOC (pH 5.5): 2584.74
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 410.71
ACD/KOC (pH 7.4): 2584.37
Polar Surface Area: 78 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 285.8±5.0 cm3

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