ChemSpider 2D Image | Methyl 4-chloro-3-{[2-(sulfamoylmethyl)-1-pyrrolidinyl]sulfonyl}benzoate | C13H17ClN2O6S2

Methyl 4-chloro-3-{[2-(sulfamoylmethyl)-1-pyrrolidinyl]sulfonyl}benzoate

  • Molecular FormulaC13H17ClN2O6S2
  • Average mass396.867 Da
  • Monoisotopic mass396.021667 Da
  • ChemSpider ID30412674

More details:

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

4-Chloro-3-{[2-(sulfamoylméthyl)-1-pyrrolidinyl]sulfonyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-[(aminosulfonyl)methyl]-1-pyrrolidinyl]sulfonyl]-4-chloro-, methyl ester [ACD/Index Name]
Methyl 4-chloro-3-{[2-(sulfamoylmethyl)-1-pyrrolidinyl]sulfonyl}benzoate [ACD/IUPAC Name]
Methyl-4-chlor-3-{[2-(sulfamoylmethyl)-1-pyrrolidinyl]sulfonyl}benzoat [German] [ACD/IUPAC Name]
METHYL 4-CHLORO-3-[2-(SULFAMOYLMETHYL)PYRROLIDIN-1-YLSULFONYL]BENZOATE
METHYL 4-CHLORO-3-{[2-(SULFAMOYLMETHYL)PYRROLIDIN-1-YL]SULFONYL}BENZOATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 601.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.4±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.13
ACD/KOC (pH 5.5): 95.99
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.12
ACD/KOC (pH 7.4): 95.93
Polar Surface Area: 141 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 262.7±3.0 cm3

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