ChemSpider 2D Image | Methyl [(2S)-1-{[(4-fluorobenzyl)sulfonyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate | C14H19FN2O5S

Methyl [(2S)-1-{[(4-fluorobenzyl)sulfonyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC14H19FN2O5S
  • Average mass346.375 Da
  • Monoisotopic mass346.099884 Da
  • ChemSpider ID30485220

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-1-{[(4-Fluorobenzyl)sulfonyl]amino}-3-méthyl-1-oxo-2-butanyl]carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[[[(4-fluorophenyl)methyl]sulfonyl]amino]carbonyl]-2-methylpropyl]-, methyl ester [ACD/Index Name]
Methyl [(2S)-1-{[(4-fluorobenzyl)sulfonyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
Methyl-[(2S)-1-{[(4-fluorbenzyl)sulfonyl]amino}-3-methyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
METHYL N-[(1S)-1-{[(4-FLUOROPHENYL)METHANESULFONYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMATE

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.530
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 110 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 265.5±3.0 cm3

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