ChemSpider 2D Image | Methyl 2-{[2-(diethylsulfamoyl)ethyl]sulfamoyl}-4-nitrobenzoate | C14H21N3O8S2

Methyl 2-{[2-(diethylsulfamoyl)ethyl]sulfamoyl}-4-nitrobenzoate

  • Molecular FormulaC14H21N3O8S2
  • Average mass423.462 Da
  • Monoisotopic mass423.076996 Da
  • ChemSpider ID65106932

More details:

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

2-{[2-(Diéthylsulfamoyl)éthyl]sulfamoyl}-4-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[2-[(diethylamino)sulfonyl]ethyl]amino]sulfonyl]-4-nitro-, methyl ester [ACD/Index Name]
Methyl 2-{[2-(diethylsulfamoyl)ethyl]sulfamoyl}-4-nitrobenzoate [ACD/IUPAC Name]
Methyl-2-{[2-(diethylsulfamoyl)ethyl]sulfamoyl}-4-nitrobenzoat [German] [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: 611.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.6±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.74
ACD/KOC (pH 5.5): 177.49
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.47
ACD/KOC (pH 7.4): 172.63
Polar Surface Area: 172 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 300.6±3.0 cm3

Click to predict properties on the Chemicalize site


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