ChemSpider 2D Image | N-[1-(Tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide | C16H18F3N3O3S

N-[1-(Tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide

  • Molecular FormulaC16H18F3N3O3S
  • Average mass389.393 Da
  • Monoisotopic mass389.102081 Da
  • ChemSpider ID39179043

More details:

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

Benzenesulfonamide, N-[1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)- [ACD/Index Name]
N-[1-(Tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazol-4-yl]-4-(trifluormethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-[1-(Tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzenesulfonamide [ACD/IUPAC Name]
N-[1-(Tétrahydro-2H-pyran-4-ylméthyl)-1H-pyrazol-4-yl]-4-(trifluorométhyl)benzènesulfonamide [French] [ACD/IUPAC Name]
1706074-63-6 [RN]
N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
N-{1-[(oxan-4-yl)methyl]-1H-pyrazol-4-yl}-4-(trifluoromethyl)benzene-1-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: 507.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.6±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 90.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.74
ACD/KOC (pH 5.5): 568.45
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 26.45
ACD/KOC (pH 7.4): 302.34
Polar Surface Area: 82 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 265.7±7.0 cm3

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