ChemSpider 2D Image | N-sec-Butyl-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzenesulfonamide | C27H33N5O6S

N-sec-Butyl-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzenesulfonamide

  • Molecular FormulaC27H33N5O6S
  • Average mass555.646 Da
  • Monoisotopic mass555.215149 Da
  • ChemSpider ID29223447

More details:

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

Benzenesulfonamide, 2-[[1-(2,3-dimethylphenyl)-4-methyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazol-5-yl]oxy]-N-(1-methylpropyl)-5-nitro- [ACD/Index Name]
N-sec-Butyl-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzenesulfonamide [ACD/IUPAC Name]
N-sec-Butyl-2-{[1-(2,3-diméthylphényl)-4-méthyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]
N-sec-Butyl-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.4±35.7 °C
Index of Refraction: 1.642
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1123.37
ACD/KOC (pH 5.5): 5310.83
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1122.49
ACD/KOC (pH 7.4): 5306.67
Polar Surface Area: 148 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 408.5±7.0 cm3

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