ChemSpider 2D Image | 3-Chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-5-(trifluoromethyl)benzenesulfonamide | C20H10Cl3F3N2O2S3

3-Chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-5-(trifluoromethyl)benzenesulfonamide

  • Molecular FormulaC20H10Cl3F3N2O2S3
  • Average mass569.855 Da
  • Monoisotopic mass567.892212 Da
  • ChemSpider ID8091686

More details:

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

3-Chlor-N-{3-chlor-4-[(5-chlor-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-5-(trifluormethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
3-Chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-5-(trifluoromethyl)benzenesulfonamide [ACD/IUPAC Name]
3-Chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phényl}-5-(trifluorométhyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3-chloro-N-[3-chloro-4-[(5-chloro-2-benzothiazolyl)thio]phenyl]-5-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 647.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.3±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 7.49
ACD/BCF (pH 5.5): 227044.03
ACD/KOC (pH 5.5): 177516.98
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 10580.23
ACD/KOC (pH 7.4): 8272.27
Polar Surface Area: 121 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

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