ChemSpider 2D Image | N-(4'-fluorobiphenyl-4-ylcarbonyl)-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide | C27H22FN3O5S2

N-(4'-fluorobiphenyl-4-ylcarbonyl)-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide

  • Molecular FormulaC27H22FN3O5S2
  • Average mass551.609 Da
  • Monoisotopic mass551.098511 Da
  • ChemSpider ID3572050

More details:

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

[1,1'-Biphenyl]-4-carboxamide, 4'-fluoro-N-[[3-nitro-4-[[2-(phenylthio)ethyl]amino]phenyl]sulfonyl]- [ACD/Index Name]
4'-Fluor-N-[(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
4'-Fluoro-N-[(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]-4-biphenylcarboxamide [ACD/IUPAC Name]
4'-Fluoro-N-[(3-nitro-4-{[2-(phénylsulfanyl)éthyl]amino}phényl)sulfonyl]-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-(4'-fluorobiphenyl-4-ylcarbonyl)-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide
N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
CHEMBL371861
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL371861/
N3B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.696
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 1108.49
ACD/KOC (pH 5.5): 2262.28
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 227.58
ACD/KOC (pH 7.4): 464.46
Polar Surface Area: 155 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 377.2±5.0 cm3

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