2-chloro-N-(2-chloro-5-sulfamoylphenyl)acetamide

• ChemBase ID: 238331
• Molecular Formular: C8H8Cl2N2O3S
• Molecular Mass: 283.13172
• Monoisotopic Mass: 281.96326849
• SMILES: S(=O)(=O)(c1cc(NC(=O)CCl)c(cc1)Cl)N
• Canonical SMILES: ClCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N
• InChI: InChI=1S/C8H8Cl2N2O3S/c9-4-8(13)12-7-3-5(16(11,14)15)1-2-6(7)10/h1-3H,4H2,(H,12,13)(H2,11,14,15)
• InChIKey: FODGSEJVGHBAOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-chloro-5-sulfamoylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-chloro-5-sulfamoylphenyl)acetamide
• Synonyms: 2-chloro-N-(2-chloro-5-sulfamoylphenyl)acetamide

Database IDs

• MDL Number: MFCD01165739
• PubChem SID: 164294241
• PubChem CID: 43700516

CALCULATED PROPERTIES

• Acid pKa: 9.568273
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.95834255
• LogD (pH = 7.4): 0.9557727
• Log P: 0.95837545
• Molar Refractivity: 62.6369 cm^3
• Polarizability: 24.438152 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Hydrophobicity(logP): 0.286

Product Information

• Purity: 95%