ChemSpider 2D Image | N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide | C24H26FN3O6S2

N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide

  • Molecular FormulaC24H26FN3O6S2
  • Average mass535.608 Da
  • Monoisotopic mass535.124695 Da
  • ChemSpider ID24639466

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Methanesulfonamide, N-[[3-[(5S)-5-(1,1-dimethylethyl)-1-[(4-fluorophenyl)methyl]-2,5-dihydro-4-hydroxy-2-oxo-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl]methyl]- [ACD/Index Name]
N-({3-[(5S)-1-(4-Fluorbenzyl)-4-hydroxy-5-(2-methyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzothiazol-7-yl}methyl)methansulfonamid [German] [ACD/IUPAC Name]
N-({3-[(5S)-1-(4-Fluorobenzyl)-4-hydroxy-5-(2-methyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzothiazol-7-yl}methyl)methanesulfonamide [ACD/IUPAC Name]
N-({3-[(5S)-1-(4-Fluorobenzyl)-4-hydroxy-5-(2-méthyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxydo-1,2-benzothiazol-7-yl}méthyl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 761.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.2±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 22.85
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 364.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement