(2-chlorophenyl)methanesulfonamide

• ChemBase ID: 235921
• Molecular Formular: C7H8ClNO2S
• Molecular Mass: 205.66192
• Monoisotopic Mass: 204.99642718
• SMILES: S(=O)(=O)(Cc1c(Cl)cccc1)N
• Canonical SMILES: Clc1ccccc1CS(=O)(=O)N
• InChI: InChI=1S/C7H8ClNO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
• InChIKey: LOGLVGABKVIWBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)methanesulfonamide
• IUPAC Traditional name: (2-chlorophenyl)methanesulfonamide
• Synonyms: (2-chlorophenyl)methanesulfonamide

Database IDs

• MDL Number: MFCD01240452
• PubChem SID: 164291831
• PubChem CID: 146065

CALCULATED PROPERTIES

• Acid pKa: 10.335263
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.94545186
• LogD (pH = 7.4): 0.94501114
• Log P: 0.9454575
• Molar Refractivity: 47.6081 cm^3
• Polarizability: 19.412817 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 0.987

Product Information

• Purity: 95%