5-methylthiophene-2-sulfonamide

• ChemBase ID: 252924
• Molecular Formular: C5H7NO2S2
• Molecular Mass: 177.24458
• Monoisotopic Mass: 176.99182047
• SMILES: S(=O)(=O)(c1sc(cc1)C)N
• Canonical SMILES: Cc1ccc(s1)S(=O)(=O)N
• InChI: InChI=1S/C5H7NO2S2/c1-4-2-3-5(9-4)10(6,7)8/h2-3H,1H3,(H2,6,7,8)
• InChIKey: QIFRWYJBGDRVKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 53595-69-0
• MDL Number: MFCD08444612
• PubChem SID: 164308834
• PubChem CID: 600930

CALCULATED PROPERTIES

• Acid pKa: 9.137085
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1714866
• LogD (pH = 7.4): 1.1645976
• Log P: 1.1715753
• Molar Refractivity: 39.5379 cm^3
• Polarizability: 16.154064 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118 - 120°C
• Hydrophobicity(logP): 0.678

Product Information

• Purity: 95%