N-(2,6-dichloro-4-sulfamoylphenyl)propanamide

• ChemBase ID: 277322
• Molecular Formular: C9H10Cl2N2O3S
• Molecular Mass: 297.1583
• Monoisotopic Mass: 295.97891855
• SMILES: S(=O)(=O)(c1cc(c(c(c1)Cl)NC(=O)CC)Cl)N
• Canonical SMILES: CCC(=O)Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N
• InChI: InChI=1S/C9H10Cl2N2O3S/c1-2-8(14)13-9-6(10)3-5(4-7(9)11)17(12,15)16/h3-4H,2H2,1H3,(H,13,14)(H2,12,15,16)
• InChIKey: KCDUAOQNSCTBAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dichloro-4-sulfamoylphenyl)propanamide
• IUPAC Traditional name: N-(2,6-dichloro-4-sulfamoylphenyl)propanamide
• Synonyms: N-(2,6-dichloro-4-sulfamoylphenyl)propanamide

Database IDs

• MDL Number: MFCD11133742
• PubChem SID: 164333232
• PubChem CID: 43134157

CALCULATED PROPERTIES

• Acid pKa: 8.933889
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7254704
• LogD (pH = 7.4): 1.7145342
• Log P: 1.7256122
• Molar Refractivity: 67.3154 cm^3
• Polarizability: 26.309078 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.123

Product Information

• Purity: 95%