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Search term: KCHARURJHJMOQX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-({[4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]sulfonyl}amino)benzoic acid | C21H14N2O6S

4-({[4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]sulfonyl}amino)benzoic acid

  • Molecular FormulaC21H14N2O6S
  • Average mass422.411 Da
  • Monoisotopic mass422.057251 Da
  • ChemSpider ID61718829

More details:

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

4-({[4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]sulfonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
4-({[4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]sulfonyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 4-({[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phényl]sulfonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]sulfonyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 689.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.6±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 24.97
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 80.3±3.0 dyne/cm
Molar Volume: 268.4±3.0 cm3

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