ChemSpider 2D Image | N-[(2S)-5-{[5-(Trifluoromethyl)-2-furyl]methyl}-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide | C18H20F3NO3S

N-[(2S)-5-{[5-(Trifluoromethyl)-2-furyl]methyl}-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide

  • Molecular FormulaC18H20F3NO3S
  • Average mass387.417 Da
  • Monoisotopic mass387.111603 Da
  • ChemSpider ID25056911

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Propanesulfonamide, N-[(2S)-2,3-dihydro-5-[[5-(trifluoromethyl)-2-furanyl]methyl]-1H-inden-2-yl]- [ACD/Index Name]
N-[(2S)-5-{[5-(Trifluormethyl)-2-furyl]methyl}-2,3-dihydro-1H-inden-2-yl]-2-propansulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-5-{[5-(Trifluoromethyl)-2-furyl]methyl}-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide [ACD/IUPAC Name]
N-[(2S)-5-{[5-(Trifluorométhyl)-2-furyl]méthyl}-2,3-dihydro-1H-indén-2-yl]-2-propanesulfonamide [French] [ACD/IUPAC Name]
N-[(2s)-5-{[5-(Trifluoromethyl)furan-2-Yl]methyl}-2,3-Dihydro-1h-Inden-2-Yl]propane-2-Sulfonamide

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

808 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 465.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.3±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1991.36
ACD/KOC (pH 5.5): 8000.71
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1991.34
ACD/KOC (pH 7.4): 8000.62
Polar Surface Area: 68 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 286.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement