ChemSpider 2D Image | 4-(4-Sulfamoyl-1-butyn-1-yl)-1H-pyrazole-1-sulfonyl chloride | C7H8ClN3O4S2

4-(4-Sulfamoyl-1-butyn-1-yl)-1H-pyrazole-1-sulfonyl chloride

  • Molecular FormulaC7H8ClN3O4S2
  • Average mass297.739 Da
  • Monoisotopic mass296.964478 Da
  • ChemSpider ID83801297

More details:

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

1H-Pyrazole-1-sulfonyl chloride, 4-[4-(aminosulfonyl)-1-butyn-1-yl]- [ACD/Index Name]
4-(4-Sulfamoyl-1-butin-1-yl)-1H-pyrazol-1-sulfonylchlorid [German] [ACD/IUPAC Name]
4-(4-Sulfamoyl-1-butyn-1-yl)-1H-pyrazole-1-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 4-(4-sulfamoyl-1-butyn-1-yl)-1H-pyrazole-1-sulfonyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 580.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.0±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 38.73
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 38.69
Polar Surface Area: 129 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 72.2±7.0 dyne/cm
Molar Volume: 179.1±7.0 cm3

Click to predict properties on the Chemicalize site


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