ChemSpider 2D Image | [5-(Dimethylsulfamoyl)-2-furyl]methyl 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylate | C16H21N3O8S2

[5-(Dimethylsulfamoyl)-2-furyl]methyl 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylate

  • Molecular FormulaC16H21N3O8S2
  • Average mass447.483 Da
  • Monoisotopic mass447.076996 Da
  • ChemSpider ID115188745

More details:

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

[5-(Dimethylsulfamoyl)-2-furyl]methyl 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
[5-(Dimethylsulfamoyl)-2-furyl]methyl-4-(4-morpholinylsulfonyl)-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 4-(4-morpholinylsulfonyl)-, [5-[(dimethylamino)sulfonyl]-2-furanyl]methyl ester [ACD/Index Name]
4-(4-Morpholinylsulfonyl)-1H-pyrrole-2-carboxylate de [5-(diméthylsulfamoyl)-2-furyl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 685.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.5±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 54.33
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 54.33
Polar Surface Area: 156 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 301.1±3.0 cm3

Click to predict properties on the Chemicalize site


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