ChemSpider 2D Image | 4-(3-Chloro-2-cyanophenoxy)-N-[3,5-di(2-pyridinyl)-4H-1,2,4-triazol-4-yl]benzenesulfonamide | C25H16ClN7O3S

4-(3-Chloro-2-cyanophenoxy)-N-[3,5-di(2-pyridinyl)-4H-1,2,4-triazol-4-yl]benzenesulfonamide

  • Molecular FormulaC25H16ClN7O3S
  • Average mass529.958 Da
  • Monoisotopic mass529.072388 Da
  • ChemSpider ID2753191

More details:

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

4-(3-Chlor-2-cyanphenoxy)-N-[3,5-di(2-pyridinyl)-4H-1,2,4-triazol-4-yl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-(3-Chloro-2-cyanophenoxy)-N-[3,5-di(2-pyridinyl)-4H-1,2,4-triazol-4-yl]benzenesulfonamide [ACD/IUPAC Name]
4-(3-Chloro-2-cyanophénoxy)-N-[3,5-di(2-pyridinyl)-4H-1,2,4-triazol-4-yl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-(3-chloro-2-cyanophenoxy)-N-(3,5-di-2-pyridinyl-4H-1,2,4-triazol-4-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 778.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.7±35.7 °C
Index of Refraction: 1.720
Molar Refractivity: 141.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 17.80
ACD/KOC (pH 5.5): 73.88
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 17.74
ACD/KOC (pH 7.4): 73.65
Polar Surface Area: 144 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 359.1±7.0 cm3

Click to predict properties on the Chemicalize site


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