ChemSpider 2D Image | Methyl 5-chloro-3-[(3-methoxybenzyl)sulfamoyl]-2-thiophenecarboxylate | C14H14ClNO5S2

Methyl 5-chloro-3-[(3-methoxybenzyl)sulfamoyl]-2-thiophenecarboxylate

  • Molecular FormulaC14H14ClNO5S2
  • Average mass375.848 Da
  • Monoisotopic mass375.000183 Da
  • ChemSpider ID26041348

More details:

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

2-Thiophenecarboxylic acid, 5-chloro-3-[[[(3-methoxyphenyl)methyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
5-Chloro-3-[(3-méthoxybenzyl)sulfamoyl]-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-3-[(3-methoxybenzyl)sulfamoyl]-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-chlor-3-[(3-methoxybenzyl)sulfamoyl]-2-thiophencarboxylat [German] [ACD/IUPAC Name]
1212059-48-7 [RN]
5-Chloro-3-(3-methoxy-benzylsulfamoyl)-thiophene-2-carboxylic acid methyl ester
methyl 5-chloro-3-[(3-methoxybenzyl)sulfamoyl]thiophene-2-carboxylate
methyl 5-chloro-3-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxylate
methyl 5-chloro-3-{[(3-methoxybenzyl)amino]sulfonyl}thiophene-2-carboxylate
METHYL 5-CHLORO-3-{[(3-METHOXYPHENYL)METHYL]SULFAMOYL}THIOPHENE-2-CARBOXYLATE

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 549.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.0±3.0 kJ/mol
    Flash Point: 286.2±32.9 °C
    Index of Refraction: 1.589
    Molar Refractivity: 89.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.32
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 172.39
    ACD/KOC (pH 5.5): 1388.32
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 171.49
    ACD/KOC (pH 7.4): 1381.12
    Polar Surface Area: 118 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 52.2±3.0 dyne/cm
    Molar Volume: 264.1±3.0 cm3

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