Found 1 result

Search term: NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CC2CCCCC2)nn1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-[4-(Cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide | C15H16F4N4O2S

4-[4-(Cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide

  • Molecular FormulaC15H16F4N4O2S
  • Average mass392.372 Da
  • Monoisotopic mass392.093018 Da
  • ChemSpider ID35033866

More details:

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

4-[4-(Cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorbenzolsulfonamid [German] [ACD/IUPAC Name]
4-[4-(Cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide [ACD/IUPAC Name]
4-[4-(Cyclohexylméthyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tétrafluorobenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluoro- [ACD/Index Name]
ID4

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

Density: 1.7±0.1 g/cm3
Boiling Point: 529.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.0±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 85.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.83
ACD/KOC (pH 5.5): 1063.35
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 107.86
ACD/KOC (pH 7.4): 965.17
Polar Surface Area: 99 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 237.4±7.0 cm3

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