5-chloro-N-methylthiophene-2-sulfonamide

• ChemBase ID: 266281
• Molecular Formular: C5H6ClNO2S2
• Molecular Mass: 211.68964
• Monoisotopic Mass: 210.95284812
• SMILES: S(=O)(=O)(c1sc(cc1)Cl)NC
• Canonical SMILES: CNS(=O)(=O)c1ccc(s1)Cl
• InChI: InChI=1S/C5H6ClNO2S2/c1-7-11(8,9)5-3-2-4(6)10-5/h2-3,7H,1H3
• InChIKey: CJBICKZTEKGBFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N-methylthiophene-2-sulfonamide
• IUPAC Traditional name: 5-chloro-N-methylthiophene-2-sulfonamide
• Synonyms: 5-chloro-N-methylthiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD06042349
• PubChem SID: 164322191
• PubChem CID: 19684301

CALCULATED PROPERTIES

• Acid pKa: 8.222221
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5187026
• LogD (pH = 7.4): 1.4659076
• Log P: 1.5194312
• Molar Refractivity: 43.343 cm^3
• Polarizability: 18.251707 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 1.715

Product Information

• Purity: 95%