ChemSpider 2D Image | 3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl}sulfonyl)benzamide | C19H18ClF4N3O3S

3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl}sulfonyl)benzamide

  • Molecular FormulaC19H18ClF4N3O3S
  • Average mass479.876 Da
  • Monoisotopic mass479.069366 Da
  • ChemSpider ID24616927

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Chlor-4-({(2R)-4-[4-fluor-2-(trifluormethyl)phenyl]-2-methyl-1-piperazinyl}sulfonyl)benzamid [German] [ACD/IUPAC Name]
3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl}sulfonyl)benzamide [ACD/IUPAC Name]
3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluorométhyl)phényl]-2-méthyl-1-pipérazinyl}sulfonyl)benzamide [French] [ACD/IUPAC Name]
3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
Benzamide, 3-chloro-4-[[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl]sulfonyl]- [ACD/Index Name]
(R)-3-chloro-4-((4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazin-1-yl)sulfonyl)benzamide
33T
3-chloro-4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylbenzamide
3-CHLORO-4-[(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYLPIPERAZIN-1-YLSULFONYL]BENZAMIDE
3-CHLORO-4-[[(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYL-1-PIPERAZINYL]SULFONYL]BENZAMIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 572.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.0±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 485.21
ACD/KOC (pH 5.5): 2907.57
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 487.78
ACD/KOC (pH 7.4): 2922.97
Polar Surface Area: 92 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 328.4±3.0 cm3

Click to predict properties on the Chemicalize site


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