N-(2-acetylphenyl)thiophene-2-sulfonamide

• ChemBase ID: 242151
• Molecular Formular: C12H11NO3S2
• Molecular Mass: 281.35064
• Monoisotopic Mass: 281.01803522
• SMILES: S(=O)(=O)(c1sccc1)Nc1c(C(=O)C)cccc1
• Canonical SMILES: CC(=O)c1ccccc1NS(=O)(=O)c1cccs1
• InChI: InChI=1S/C12H11NO3S2/c1-9(14)10-5-2-3-6-11(10)13-18(15,16)12-7-4-8-17-12/h2-8,13H,1H3
• InChIKey: SRNYRXCJVPQCIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-acetylphenyl)thiophene-2-sulfonamide
• IUPAC Traditional name: N-(2-acetylphenyl)thiophene-2-sulfonamide
• Synonyms: N-(2-acetylphenyl)thiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD03967433
• PubChem SID: 164298061
• PubChem CID: 1245710

CALCULATED PROPERTIES

• Acid pKa: 5.9327607
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8464457
• LogD (pH = 7.4): 1.1211064
• Log P: 1.9649966
• Molar Refractivity: 69.5587 cm^3
• Polarizability: 27.655901 Å^3
• Polar Surface Area: 63.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 2.58

Product Information

• Purity: 95%