ChemSpider 2D Image | N-[(2S)-5-{[4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide | C18H22F3N3O3S

N-[(2S)-5-{[4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide

  • Molecular FormulaC18H22F3N3O3S
  • Average mass417.446 Da
  • Monoisotopic mass417.133392 Da
  • ChemSpider ID25058323

  • 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-[[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-1H-inden-2-yl]- [ACD/Index Name]
N-[(2S)-5-{[4-(Hydroxymethyl)-3-(trifluormethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]-2-propansulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-5-{[4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide [ACD/IUPAC Name]
N-[(2S)-5-{[4-(Hydroxyméthyl)-3-(trifluorométhyl)-1H-pyrazol-1-yl]méthyl}-2,3-dihydro-1H-indén-2-yl]-2-propanesulfonamide [French] [ACD/IUPAC Name]
N-[(2s)-5-{[4-(Hydroxymethyl)-3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]methyl}-2,3-Dihydro-1h-Inden-2-Yl]propane-2-Sulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 559.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 291.9±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.43
ACD/KOC (pH 5.5): 362.67
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.43
ACD/KOC (pH 7.4): 362.67
Polar Surface Area: 93 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 286.8±7.0 cm3

Click to predict properties on the Chemicalize site


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