1-benzofuran-7-sulfonamide

• ChemBase ID: 275967
• Molecular Formular: C8H7NO3S
• Molecular Mass: 197.21108
• Monoisotopic Mass: 197.01466409
• SMILES: S(=O)(=O)(c1c2occc2ccc1)N
• Canonical SMILES: NS(=O)(=O)c1cccc2c1occ2
• InChI: InChI=1S/C8H7NO3S/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H2,9,10,11)
• InChIKey: YMHJXCHSBFBUCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-7-sulfonamide
• IUPAC Traditional name: 1-benzofuran-7-sulfonamide
• Synonyms: 1-benzofuran-7-sulfonamide

Database IDs

• MDL Number: MFCD19381987
• PubChem SID: 164331877
• PubChem CID: 54593938

CALCULATED PROPERTIES

• Acid pKa: 9.210704
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7383251
• LogD (pH = 7.4): 0.73250103
• Log P: 0.7384
• Molar Refractivity: 47.057 cm^3
• Polarizability: 19.996523 Å^3
• Polar Surface Area: 73.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.865

Product Information

• Purity: 95%