ChemSpider 2D Image | N-[(2S)-2-{4-[4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]-2-propanesulfonamide | C17H22F3N3O3S

N-[(2S)-2-{4-[4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]-2-propanesulfonamide

  • Molecular FormulaC17H22F3N3O3S
  • Average mass405.435 Da
  • Monoisotopic mass405.133392 Da
  • ChemSpider ID25057582

  • 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-[4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]propyl]- [ACD/Index Name]
N-[(2S)-2-{4-[4-(Hydroxymethyl)-3-(trifluormethyl)-1H-pyrazol-1-yl]phenyl}propyl]-2-propansulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-2-{4-[4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]-2-propanesulfonamide [ACD/IUPAC Name]
N-[(2S)-2-{4-[4-(Hydroxyméthyl)-3-(trifluorométhyl)-1H-pyrazol-1-yl]phényl}propyl]-2-propanesulfonamide [French] [ACD/IUPAC Name]
N-[(2s)-2-{4-[4-(Hydroxymethyl)-3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]phenyl}propyl]propane-2-Sulfonamide

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

557 [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: 510.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.7±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.49
ACD/KOC (pH 5.5): 353.42
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.48
ACD/KOC (pH 7.4): 353.35
Polar Surface Area: 93 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 298.4±7.0 cm3

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