ChemSpider 2D Image | 2,4,6-Trimethyl-N-{4-[(1-phenyl-1H-pyrazol-5-yl)sulfamoyl]phenyl}-N-(vinylsulfonyl)benzenesulfonamide | C26H26N4O6S3

2,4,6-Trimethyl-N-{4-[(1-phenyl-1H-pyrazol-5-yl)sulfamoyl]phenyl}-N-(vinylsulfonyl)benzenesulfonamide

  • Molecular FormulaC26H26N4O6S3
  • Average mass586.703 Da
  • Monoisotopic mass586.101440 Da
  • ChemSpider ID82783409

More details:

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

2,4,6-Trimethyl-N-{4-[(1-phenyl-1H-pyrazol-5-yl)sulfamoyl]phenyl}-N-(vinylsulfonyl)benzenesulfonamide [ACD/IUPAC Name]
2,4,6-Triméthyl-N-{4-[(1-phényl-1H-pyrazol-5-yl)sulfamoyl]phényl}-N-(vinylsulfonyl)benzènesulfonamide [French] [ACD/IUPAC Name]
2,4,6-Trimethyl-N-{4-[(1-phenyl-1H-pyrazol-5-yl)sulfamoyl]phenyl}-N-(vinylsulfonyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, N-(ethenylsulfonyl)-2,4,6-trimethyl-N-[4-[[(1-phenyl-1H-pyrazol-5-yl)amino]sulfonyl]phenyl]- [ACD/Index 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: 766.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 417.1±35.7 °C
Index of Refraction: 1.649
Molar Refractivity: 154.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 553.32
ACD/KOC (pH 5.5): 3116.05
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 74.48
ACD/KOC (pH 7.4): 419.45
Polar Surface Area: 161 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 424.8±7.0 cm3

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