thiophene-3-sulfonamide

• ChemBase ID: 240171
• Molecular Formular: C4H5NO2S2
• Molecular Mass: 163.218
• Monoisotopic Mass: 162.97617041
• SMILES: S(=O)(=O)(c1ccsc1)N
• Canonical SMILES: NS(=O)(=O)c1cscc1
• InChI: InChI=1S/C4H5NO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H,(H2,5,6,7)
• InChIKey: BWJZHYWAXLWLTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophene-3-sulfonamide
• IUPAC Traditional name: thiophene-3-sulfonamide
• Synonyms: thiophene-3-sulfonamide

Database IDs

• MDL Number: MFCD03426807
• PubChem SID: 164296081
• PubChem CID: 1201388

CALCULATED PROPERTIES

• Acid pKa: 9.609137
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3596886
• LogD (pH = 7.4): 0.35734951
• Log P: 0.35971853
• Molar Refractivity: 35.3217 cm^3
• Polarizability: 14.40586 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.179

Product Information

• Purity: 95%