ChemSpider 2D Image | (2S)-2-{4'-[(6-Amino-3-pyridinyl)sulfonyl]-4-biphenylyl}-1,1,1-trifluoro-2-propanol | C20H17F3N2O3S

(2S)-2-{4'-[(6-Amino-3-pyridinyl)sulfonyl]-4-biphenylyl}-1,1,1-trifluoro-2-propanol

  • Molecular FormulaC20H17F3N2O3S
  • Average mass422.421 Da
  • Monoisotopic mass422.091187 Da
  • ChemSpider ID35034946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{4'-[(6-Amino-3-pyridinyl)sulfonyl]-4-biphenylyl}-1,1,1-trifluor-2-propanol [German] [ACD/IUPAC Name]
(2S)-2-{4'-[(6-Amino-3-pyridinyl)sulfonyl]-4-biphenylyl}-1,1,1-trifluoro-2-propanol [ACD/IUPAC Name]
(2S)-2-{4'-[(6-Amino-3-pyridinyl)sulfonyl]-4-biphénylyl}-1,1,1-trifluoro-2-propanol [French] [ACD/IUPAC Name]
(2s)-2-{4'-[(6-Aminopyridin-3-Yl)sulfonyl]biphenyl-4-Yl}-1,1,1-Trifluoropropan-2-Ol
[1,1'-Biphenyl]-4-methanol, 4'-[(6-amino-3-pyridinyl)sulfonyl]-α-methyl-α-(trifluoromethyl)-, (αS)- [ACD/Index Name]
2UX

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.8±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 102.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.00
ACD/KOC (pH 5.5): 1164.97
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.21
ACD/KOC (pH 7.4): 1166.73
Polar Surface Area: 102 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 302.7±3.0 cm3

Click to predict properties on the Chemicalize site


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