ChemSpider 2D Image | Methyl 3-chloro-4-{[3-methoxy-3-oxo-1-(2-thienyl)propyl]sulfamoyl}benzoate | C16H16ClNO6S2

Methyl 3-chloro-4-{[3-methoxy-3-oxo-1-(2-thienyl)propyl]sulfamoyl}benzoate

  • Molecular FormulaC16H16ClNO6S2
  • Average mass417.884 Da
  • Monoisotopic mass417.010742 Da
  • ChemSpider ID70264977

More details:

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

2-Thiophenepropanoic acid, β-[[[2-chloro-4-(methoxycarbonyl)phenyl]sulfonyl]amino]-, methyl ester [ACD/Index Name]
3-Chloro-4-{[3-méthoxy-3-oxo-1-(2-thiényl)propyl]sulfamoyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-chloro-4-{[3-methoxy-3-oxo-1-(2-thienyl)propyl]sulfamoyl}benzoate [ACD/IUPAC Name]
Methyl-3-chlor-4-{[3-methoxy-3-oxo-1-(2-thienyl)propyl]sulfamoyl}benzoat [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: 563.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.7±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.12
ACD/KOC (pH 5.5): 1769.35
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 205.23
ACD/KOC (pH 7.4): 1499.73
Polar Surface Area: 135 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 293.8±3.0 cm3

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