furan-3-sulfonamide

• ChemBase ID: 277863
• Molecular Formular: C4H5NO3S
• Molecular Mass: 147.1524
• Monoisotopic Mass: 146.99901403
• SMILES: S(=O)(=O)(c1ccoc1)N
• Canonical SMILES: NS(=O)(=O)c1cocc1
• InChI: InChI=1S/C4H5NO3S/c5-9(6,7)4-1-2-8-3-4/h1-3H,(H2,5,6,7)
• InChIKey: XNTWONAICPPJDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD15143857
• PubChem SID: 164333773
• PubChem CID: 22179283

CALCULATED PROPERTIES

• Acid pKa: 9.092302
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.28057626
• LogD (pH = 7.4): -0.2882051
• Log P: -0.28047788
• Molar Refractivity: 30.7293 cm^3
• Polarizability: 12.634103 Å^3
• Polar Surface Area: 73.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.519

Product Information

• Purity: 95%