ChemSpider 2D Image | 2-Nitro-N-{2-[6-oxo-3-(1H-1,2,4-triazol-1-yl)-1(6H)-pyridazinyl]ethyl}benzenesulfonamide | C14H13N7O5S

2-Nitro-N-{2-[6-oxo-3-(1H-1,2,4-triazol-1-yl)-1(6H)-pyridazinyl]ethyl}benzenesulfonamide

  • Molecular FormulaC14H13N7O5S
  • Average mass391.362 Da
  • Monoisotopic mass391.069885 Da
  • ChemSpider ID39422747

More details:






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

2-Nitro-N-{2-[6-oxo-3-(1H-1,2,4-triazol-1-yl)-1(6H)-pyridazinyl]ethyl}benzenesulfonamide [ACD/IUPAC Name]
2-Nitro-N-{2-[6-oxo-3-(1H-1,2,4-triazol-1-yl)-1(6H)-pyridazinyl]éthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
2-Nitro-N-{2-[6-oxo-3-(1H-1,2,4-triazol-1-yl)-1(6H)-pyridazinyl]ethyl}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 2-nitro-N-[2-[6-oxo-3-(1H-1,2,4-triazol-1-yl)-1(6H)-pyridazinyl]ethyl]- [ACD/Index Name]
2-nitro-N-(2-(6-oxo-3-(1H-1,2,4-triazol-1-yl)pyridazin-1(6H)-yl)ethyl)benzenesulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 686.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.0±34.3 °C
Index of Refraction: 1.748
Molar Refractivity: 95.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.82
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.73
Polar Surface Area: 164 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 82.3±7.0 dyne/cm
Molar Volume: 235.7±7.0 cm3

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