ChemSpider 2D Image | 2-(5-Chloro-2-thienyl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]-2-oxo-3-pyrrolidinyl}ethanesulfonamide | C23H22ClFN2O5S3

2-(5-Chloro-2-thienyl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]-2-oxo-3-pyrrolidinyl}ethanesulfonamide

  • Molecular FormulaC23H22ClFN2O5S3
  • Average mass557.078 Da
  • Monoisotopic mass556.036316 Da
  • ChemSpider ID25060605

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(5-Chlor-2-thienyl)-N-{(3S)-1-[3-fluor-2'-(methylsulfonyl)-4-biphenylyl]-2-oxo-3-pyrrolidinyl}ethansulfonamid [German] [ACD/IUPAC Name]
2-(5-Chloro-2-thienyl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]-2-oxo-3-pyrrolidinyl}ethanesulfonamide [ACD/IUPAC Name]
2-(5-Chloro-2-thiényl)-N-{(3S)-1-[3-fluoro-2'-(méthylsulfonyl)-4-biphénylyl]-2-oxo-3-pyrrolidinyl}éthanesulfonamide [French] [ACD/IUPAC Name]
2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
2-Thiopheneethanesulfonamide, 5-chloro-N-[(3S)-1-[3-fluoro-2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-2-oxo-3-pyrrolidinyl]- [ACD/Index Name]
GSV

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

Density: 1.6±0.1 g/cm3
Boiling Point: 817.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 448.2±37.1 °C
Index of Refraction: 1.675
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.33
ACD/KOC (pH 5.5): 1066.76
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 114.08
ACD/KOC (pH 7.4): 1019.85
Polar Surface Area: 146 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 359.2±5.0 cm3

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