ChemSpider 2D Image | (1S,2S)-N-[4-(Phenylsulfonyl)phenyl]-2-(3-pyridinyl)cyclopropanecarboxamide | C21H18N2O3S

(1S,2S)-N-[4-(Phenylsulfonyl)phenyl]-2-(3-pyridinyl)cyclopropanecarboxamide

  • Molecular FormulaC21H18N2O3S
  • Average mass378.444 Da
  • Monoisotopic mass378.103821 Da
  • ChemSpider ID31130203
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,2S)-N-[4-(Phenylsulfonyl)phenyl]-2-(3-pyridinyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
(1S,2S)-N-[4-(Phenylsulfonyl)phenyl]-2-(3-pyridinyl)cyclopropanecarboxamide [ACD/IUPAC Name]
(1S,2S)-N-[4-(Phénylsulfonyl)phényl]-2-(3-pyridinyl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
(1s,2s)-N-[4-(Phenylsulfonyl)phenyl]-2-(Pyridin-3-Yl)cyclopropanecarboxamide
Cyclopropanecarboxamide, N-[4-(phenylsulfonyl)phenyl]-2-(3-pyridinyl)-, (1S,2S)- [ACD/Index Name]
10.1021/jm4015108
20O

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

Density: 1.4±0.1 g/cm3
Boiling Point: 656.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.5±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 20.81
ACD/KOC (pH 5.5): 248.74
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.43
ACD/KOC (pH 7.4): 507.03
Polar Surface Area: 85 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 277.6±3.0 cm3

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