ChemSpider 2D Image | 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide | C16H23F3N2O3S2

2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide

  • Molecular FormulaC16H23F3N2O3S2
  • Average mass412.491 Da
  • Monoisotopic mass412.110229 Da
  • ChemSpider ID35034503

More details:

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

2-(Cyclooctylamino)-3,5,6-trifluor-4-[(2-hydroxyethyl)sulfanyl]benzolsulfonamid [German] [ACD/IUPAC Name]
2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide [ACD/IUPAC Name]
2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyéthyl)sulfanyl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]- [ACD/Index Name]
1604042-90-1 [RN]
2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzene-1-sulfonamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3359179/
V90
VD12-09

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

Density: 1.4±0.1 g/cm3
Boiling Point: 534.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.1±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3133.69
ACD/KOC (pH 5.5): 11067.76
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3112.20
ACD/KOC (pH 7.4): 10991.88
Polar Surface Area: 126 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 290.7±5.0 cm3

Click to predict properties on the Chemicalize site


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