ChemSpider 2D Image | N-[(1Z)-1-Amino-5,5,5-trifluoro-1-hydroxy-1-penten-2-yl]-4-chloro-N-[2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl]benzenesulfonamide | C20H17ClF4N4O4S

N-[(1Z)-1-Amino-5,5,5-trifluoro-1-hydroxy-1-penten-2-yl]-4-chloro-N-[2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl]benzenesulfonamide

  • Molecular FormulaC20H17ClF4N4O4S
  • Average mass520.885 Da
  • Monoisotopic mass520.059509 Da
  • ChemSpider ID95784556

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzenesulfonamide, N-[(1Z)-1-(aminohydroxymethylene)-4,4,4-trifluorobutyl]-4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]- [ACD/Index Name]
N-[(1Z)-1-Amino-5,5,5-trifluor-1-hydroxy-1-penten-2-yl]-4-chlor-N-[2-fluor-4-(1,2,4-oxadiazol-3-yl)benzyl]benzolsulfonamid [German] [ACD/IUPAC Name]
N-[(1Z)-1-Amino-5,5,5-trifluoro-1-hydroxy-1-penten-2-yl]-4-chloro-N-[2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl]benzenesulfonamide [ACD/IUPAC Name]
N-[(1Z)-1-Amino-5,5,5-trifluoro-1-hydroxy-1-pentén-2-yl]-4-chloro-N-[2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl]benzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 605.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.2±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 444.48
ACD/KOC (pH 5.5): 2729.45
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 446.36
ACD/KOC (pH 7.4): 2740.97
Polar Surface Area: 131 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 343.2±3.0 cm3

Click to predict properties on the Chemicalize site


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