ChemSpider 2D Image | Methyl 3-[({N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}oxy)methyl]-2-thiophenecarboxylate | C16H16ClNO6S2

Methyl 3-[({N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}oxy)methyl]-2-thiophenecarboxylate

  • Molecular FormulaC16H16ClNO6S2
  • Average mass417.884 Da
  • Monoisotopic mass417.010742 Da
  • ChemSpider ID65119255

More details:

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

2-Thiophenecarboxylic acid, 3-[[[2-[[(4-chlorophenyl)sulfonyl]methylamino]acetyl]oxy]methyl]-, methyl ester [ACD/Index Name]
3-[({N-[(4-Chlorophényl)sulfonyl]-N-méthylglycyl}oxy)méthyl]-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[({N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}oxy)methyl]-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-[({N-[(4-chlorphenyl)sulfonyl]-N-methylglycyl}oxy)methyl]-2-thiophencarboxylat [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: 564.0±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: 294.9±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 305.77
ACD/KOC (pH 5.5): 2092.43
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 305.77
ACD/KOC (pH 7.4): 2092.43
Polar Surface Area: 127 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 291.5±3.0 cm3

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