ChemSpider 2D Image | N-(6-{Methyl[(3-nitrophenyl)sulfonyl]amino}-3-pyridinyl)-1,3-benzodioxole-5-sulfonamide | C19H16N4O8S2

N-(6-{Methyl[(3-nitrophenyl)sulfonyl]amino}-3-pyridinyl)-1,3-benzodioxole-5-sulfonamide

  • Molecular FormulaC19H16N4O8S2
  • Average mass492.482 Da
  • Monoisotopic mass492.040955 Da
  • ChemSpider ID66668527

More details:

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

1,3-Benzodioxole-5-sulfonamide, N-[6-[methyl[(3-nitrophenyl)sulfonyl]amino]-3-pyridinyl]- [ACD/Index Name]
N-(6-{Methyl[(3-nitrophenyl)sulfonyl]amino}-3-pyridinyl)-1,3-benzodioxol-5-sulfonamid [German] [ACD/IUPAC Name]
N-(6-{Methyl[(3-nitrophenyl)sulfonyl]amino}-3-pyridinyl)-1,3-benzodioxole-5-sulfonamide [ACD/IUPAC Name]
N-(6-{Méthyl[(3-nitrophényl)sulfonyl]amino}-3-pyridinyl)-1,3-benzodioxole-5-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 715.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.5±35.7 °C
Index of Refraction: 1.692
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.12
ACD/KOC (pH 5.5): 529.86
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 22.37
ACD/KOC (pH 7.4): 262.68
Polar Surface Area: 177 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 302.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement