N-(thiophene-2-sulfonyl)benzamide

• ChemBase ID: 251181
• Molecular Formular: C11H9NO3S2
• Molecular Mass: 267.32406
• Monoisotopic Mass: 267.00238515
• SMILES: S(=O)(=O)(NC(=O)c1ccccc1)c1sccc1
• Canonical SMILES: O=C(c1ccccc1)NS(=O)(=O)c1cccs1
• InChI: InChI=1S/C11H9NO3S2/c13-11(9-5-2-1-3-6-9)12-17(14,15)10-7-4-8-16-10/h1-8H,(H,12,13)
• InChIKey: KEGAPSWTDJXGFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophene-2-sulfonyl)benzamide
• IUPAC Traditional name: N-(thiophene-2-sulfonyl)benzamide
• Synonyms: N-(thiophene-2-sulfonyl)benzamide

Database IDs

• MDL Number: MFCD02172388
• PubChem SID: 164307091
• PubChem CID: 738706

CALCULATED PROPERTIES

• Acid pKa: 5.79704
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2153711
• LogD (pH = 7.4): 1.500772
• Log P: 2.3684974
• Molar Refractivity: 64.718 cm^3
• Polarizability: 25.642296 Å^3
• Polar Surface Area: 63.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 2.6

Product Information

• Purity: 95%