2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

• ChemBase ID: 229370
• Molecular Formular: C10H12Cl2N2O3S
• Molecular Mass: 311.18488
• Monoisotopic Mass: 309.99456861
• SMILES: S(=O)(=O)(c1cc(NC(=O)CCl)ccc1Cl)N(C)C
• Canonical SMILES: ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N(C)C)Cl
• InChI: InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
• InChIKey: YEHYODCKTNLFQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
• Synonyms: 2-Chloro-N-(4-chloro-3-dimethylsulfamoyl-phenyl)-acetamide

Database IDs

• MDL Number: MFCD03965279
• PubChem SID: 164285280
• PubChem CID: 3860347

CALCULATED PROPERTIES

• Acid pKa: 13.002689
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4057275
• LogD (pH = 7.4): 1.4057266
• Log P: 1.4057276
• Molar Refractivity: 72.4303 cm^3
• Polarizability: 28.071423 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 1.932

Product Information

• Purity: 95%