ChemSpider 2D Image | 4-[({[5-(3-Fluorophenyl)-2-thienyl]sulfonyl}amino)methyl]benzoic acid | C18H14FNO4S2

4-[({[5-(3-Fluorophenyl)-2-thienyl]sulfonyl}amino)methyl]benzoic acid

  • Molecular FormulaC18H14FNO4S2
  • Average mass391.436 Da
  • Monoisotopic mass391.034821 Da
  • ChemSpider ID27444610

More details:

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

4-[({[5-(3-Fluorophenyl)-2-thienyl]sulfonyl}amino)methyl]benzoic acid [ACD/IUPAC Name]
4-[({[5-(3-Fluorphenyl)-2-thienyl]sulfonyl}amino)methyl]benzoesäure [German] [ACD/IUPAC Name]
Acide 4-[({[5-(3-fluorophényl)-2-thiényl]sulfonyl}amino)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[5-(3-fluorophenyl)-2-thienyl]sulfonyl]amino]methyl]- [ACD/Index Name]
1172045-66-7 [RN]
4-((5-(3-Fluorophenyl)thiophene-2-sulfonamido)methyl)benzoic acid
4-[({[5-(3-Fluorophenyl)-2-thienyl]-sulfonyl}amino)methyl]benzoic acid
4-[({[5-(3-fluorophenyl)thien-2-yl]sulfonyl}amino)methyl]benzoic acid
4-[[[5-(3-fluorophenyl)thiophen-2-yl]sulfonylamino]methyl]benzoic acid
4-{[5-(3-FLUOROPHENYL)THIOPHENE-2-SULFONAMIDO]METHYL}BENZOIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 622.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.9±3.0 kJ/mol
    Flash Point: 330.1±34.3 °C
    Index of Refraction: 1.638
    Molar Refractivity: 97.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.93
    ACD/LogD (pH 5.5): 2.60
    ACD/BCF (pH 5.5): 25.64
    ACD/KOC (pH 5.5): 140.68
    ACD/LogD (pH 7.4): 1.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.39
    Polar Surface Area: 120 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 272.2±3.0 cm3

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