ChemSpider 2D Image | N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-4-{(E)-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amino}benzenesulfonamide | C18H15N5O6S2

N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-4-{(E)-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amino}benzenesulfonamide

  • Molecular FormulaC18H15N5O6S2
  • Average mass461.472 Da
  • Monoisotopic mass461.046387 Da
  • ChemSpider ID68663357

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzenesulfonamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[[(1E)-(6-nitro-1,3-benzodioxol-5-yl)methylene]amino]- [ACD/Index Name]
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-4-{(E)-[(6-nitro-1,3-benzodioxol-5-yl)methylen]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-4-{(E)-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amino}benzenesulfonamide [ACD/IUPAC Name]
N-(5-Éthyl-1,3,4-thiadiazol-2-yl)-4-{(E)-[(6-nitro-1,3-benzodioxol-5-yl)méthylène]amino}benzènesulfonamide [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: 684.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.8±34.3 °C
Index of Refraction: 1.746
Molar Refractivity: 113.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 72.61
ACD/KOC (pH 5.5): 721.21
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 7.70
ACD/KOC (pH 7.4): 76.51
Polar Surface Area: 185 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 73.0±7.0 dyne/cm
Molar Volume: 279.2±7.0 cm3

Click to predict properties on the Chemicalize site


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