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Search term: N[C@@H](CNS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O)Cc1cc(F)c(F)cc1F (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-[({[(2R)-2-Amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide | C16H19F3N4O4S2

4-[({[(2R)-2-Amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide

  • Molecular FormulaC16H19F3N4O4S2
  • Average mass452.472 Da
  • Monoisotopic mass452.079987 Da
  • ChemSpider ID35035806

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[({[(2R)-2-Amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide [ACD/IUPAC Name]
4-[({[(2R)-2-Amino-3-(2,4,5-trifluorophényl)propyl]sulfamoyl}amino)méthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-[({[(2R)-2-Amino-3-(2,4,5-trifluorphenyl)propyl]sulfamoyl}amino)methyl]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[[[[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]amino]sulfonyl]amino]methyl]- [ACD/Index Name]
D1C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 639.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.6±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 102.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.97
Polar Surface Area: 161 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 300.3±3.0 cm3

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