ChemSpider 2D Image | N-[(3S)-1-Cyano-3-pyrrolidinyl]benzenesulfonamide | C11H13N3O2S

N-[(3S)-1-Cyano-3-pyrrolidinyl]benzenesulfonamide

  • Molecular FormulaC11H13N3O2S
  • Average mass251.305 Da
  • Monoisotopic mass251.072845 Da
  • ChemSpider ID26386893
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzenesulfonamide, N-[(3S)-1-cyano-3-pyrrolidinyl]- [ACD/Index Name]
N-[(3S)-1-Cyan-3-pyrrolidinyl]benzolsulfonamid [German] [ACD/IUPAC Name]
N-[(3S)-1-Cyano-3-pyrrolidinyl]benzenesulfonamide [ACD/IUPAC Name]
N-[(3S)-1-Cyano-3-pyrrolidinyl]benzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 483.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.9±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.15
ACD/KOC (pH 5.5): 60.16
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 60.12
Polar Surface Area: 82 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 181.9±5.0 cm3

Click to predict properties on the Chemicalize site






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