ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-4-{[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]amino}-3-nitrobenzenesulfonamide | C15H24N4O6S2

N-[2-(Dimethylamino)ethyl]-4-{[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]amino}-3-nitrobenzenesulfonamide

  • Molecular FormulaC15H24N4O6S2
  • Average mass420.504 Da
  • Monoisotopic mass420.113739 Da
  • ChemSpider ID33803865

More details:

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

Benzenesulfonamide, N-[2-(dimethylamino)ethyl]-3-nitro-4-[[(tetrahydro-1,1-dioxido-3-thienyl)methyl]amino]- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-4-{[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]amino}-3-nitrobenzenesulfonamide [ACD/IUPAC Name]
N-[2-(Dimethylamino)ethyl]-4-{[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]amino}-3-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-4-{[(1,1-dioxydotétrahydro-3-thiophényl)méthyl]amino}-3-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.2±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.64
Polar Surface Area: 158 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 299.4±3.0 cm3

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