ChemSpider 2D Image | N-Ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-isobutylbenzenesulfonamide | C20H31N3O2S

N-Ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-isobutylbenzenesulfonamide

  • Molecular FormulaC20H31N3O2S
  • Average mass377.544 Da
  • Monoisotopic mass377.213684 Da
  • ChemSpider ID21759491

More details:

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

Benzenesulfonamide, N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylpropyl)- [ACD/Index Name]
N-Ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-isobutylbenzenesulfonamide [ACD/IUPAC Name]
N-Éthyl-N-[(1-éthyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]-4-isobutylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-Ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-isobutylbenzolsulfonamid [German] [ACD/IUPAC Name]
ethyl[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]{[4-(2-methylpropyl)phenyl]sulfonyl}amine
N-Ethyl-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-ylmethyl)-4-isobutyl-benzenesulfonamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.7±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 109.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2305.69
ACD/KOC (pH 5.5): 8879.94
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2310.84
ACD/KOC (pH 7.4): 8899.78
Polar Surface Area: 64 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 338.8±7.0 cm3

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