N-benzylthiophene-2-sulfonamide

• ChemBase ID: 250940
• Molecular Formular: C11H11NO2S2
• Molecular Mass: 253.34054
• Monoisotopic Mass: 253.0231206
• SMILES: S(=O)(=O)(c1sccc1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(c1cccs1)NCc1ccccc1
• InChI: InChI=1S/C11H11NO2S2/c13-16(14,11-7-4-8-15-11)12-9-10-5-2-1-3-6-10/h1-8,12H,9H2
• InChIKey: ZBWRRXATZZOORF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylthiophene-2-sulfonamide
• IUPAC Traditional name: N-benzylthiophene-2-sulfonamide
• Synonyms: N-benzylthiophene-2-sulfonamide

Database IDs

• PubChem SID: 164306850
• PubChem CID: 765826

CALCULATED PROPERTIES

• Acid pKa: 8.785115
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4736643
• LogD (pH = 7.4): 2.4583657
• Log P: 2.4738636
• Molar Refractivity: 63.9909 cm^3
• Polarizability: 25.733086 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.603

Product Information

• Purity: 95%