ChemSpider 2D Image | 4-[2-({[(4-Chlorophenyl)sulfonyl]amino}methyl)-2,3-dihydro-1H-inden-5-yl]butanoate | C20H21ClNO4S

4-[2-({[(4-Chlorophenyl)sulfonyl]amino}methyl)-2,3-dihydro-1H-inden-5-yl]butanoate

  • Molecular FormulaC20H21ClNO4S
  • Average mass406.904 Da
  • Monoisotopic mass406.088531 Da
  • ChemSpider ID34975430

  • Charge - Charge

More details:

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

1H-Indene-5-butanoic acid, 2-[[[(4-chlorophenyl)sulfonyl]amino]methyl]-2,3-dihydro-, ion(1-) [ACD/Index Name]
4-[2-({[(4-Chlorophenyl)sulfonyl]amino}methyl)-2,3-dihydro-1H-inden-5-yl]butanoate [ACD/IUPAC Name]
4-[2-({[(4-Chlorophényl)sulfonyl]amino}méthyl)-2,3-dihydro-1H-indén-5-yl]butanoate [French] [ACD/IUPAC Name]
4-[2-({[(4-Chlorphenyl)sulfonyl]amino}methyl)-2,3-dihydro-1H-inden-5-yl]butanoat [German] [ACD/IUPAC Name]
CHEMBL334501

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

Density:
Boiling Point: 595.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 313.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 210.26
ACD/KOC (pH 5.5): 945.29
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 3.37
ACD/KOC (pH 7.4): 15.13
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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