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Search term: AUHJAAAKTCEGOJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(3-Chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-4-isoindolinesulfonamide | C17H16ClFN2O5S

2-(3-Chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-4-isoindolinesulfonamide

  • Molecular FormulaC17H16ClFN2O5S
  • Average mass414.836 Da
  • Monoisotopic mass414.045258 Da
  • ChemSpider ID34528892

More details:

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

1H-Isoindole-4-sulfonamide, 2-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-6,7-dihydroxy-N,N-dimethyl-1-oxo- [ACD/Index Name]
2-(3-Chlor-4-fluorbenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-4-isoindolinsulfonamid [German] [ACD/IUPAC Name]
2-(3-Chloro-4-Fluorobenzyl)-6,7-Dihydroxy-N,N-Dimethyl-1-Oxo-2,3-Dihydro-1h-Isoindole-4-Sulfonamide
2-(3-Chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-4-isoindolinesulfonamide [ACD/IUPAC Name]
2-(3-Chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-diméthyl-1-oxo-4-isoindolinesulfonamide [French] [ACD/IUPAC Name]
XZ2

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

Density: 1.6±0.1 g/cm3
Boiling Point: 682.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 366.4±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 66.19
ACD/KOC (pH 5.5): 657.90
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 40.87
Polar Surface Area: 107 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 262.9±3.0 cm3

Click to predict properties on the Chemicalize site


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