Found 1 result

Search term: Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1cccc(F)c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-{[4-Amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide | C16H13FN4O3S2

4-{[4-Amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

  • Molecular FormulaC16H13FN4O3S2
  • Average mass392.428 Da
  • Monoisotopic mass392.041321 Da
  • ChemSpider ID30811053

More details:

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

4-{[4-Amino-5-(3-fluorbenzoyl)-1,3-thiazol-2-yl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[4-Amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide [ACD/IUPAC Name]
4-{[4-Amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[4-amino-5-(3-fluorobenzoyl)-2-thiazolyl]amino]- [ACD/Index Name]
X42

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

Density: 1.6±0.1 g/cm3
Boiling Point: 680.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.1±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.22
ACD/KOC (pH 5.5): 220.85
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.17
ACD/KOC (pH 7.4): 220.04
Polar Surface Area: 165 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 77.3±3.0 dyne/cm
Molar Volume: 251.7±3.0 cm3

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