ChemSpider 2D Image | N-Phenyl-1-[5-({[3-(phenylsulfonyl)-1H-pyrazol-4-yl]sulfonyl}methyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide | C19H17N5O7S3

N-Phenyl-1-[5-({[3-(phenylsulfonyl)-1H-pyrazol-4-yl]sulfonyl}methyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide

  • Molecular FormulaC19H17N5O7S3
  • Average mass523.563 Da
  • Monoisotopic mass523.028992 Da
  • ChemSpider ID28507888

More details:






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

1,3,4-Oxadiazole-2-methanesulfonamide, N-phenyl-5-[[[3-(phenylsulfonyl)-1H-pyrazol-4-yl]sulfonyl]methyl]- [ACD/Index Name]
N-Phenyl-1-[5-({[3-(phenylsulfonyl)-1H-pyrazol-4-yl]sulfonyl}methyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide [ACD/IUPAC Name]
N-Phényl-1-[5-({[3-(phénylsulfonyl)-1H-pyrazol-4-yl]sulfonyl}méthyl)-1,3,4-oxadiazol-2-yl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-Phenyl-1-[5-({[3-(phenylsulfonyl)-1H-pyrazol-4-yl]sulfonyl}methyl)-1,3,4-oxadiazol-2-yl]methansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 884.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 488.8±37.1 °C
Index of Refraction: 1.668
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 322.3±3.0 cm3

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