2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide

• ChemBase ID: 248630
• Molecular Formular: C8H6N2O4S
• Molecular Mass: 226.20924
• Monoisotopic Mass: 226.00482768
• SMILES: S(=O)(=O)(c1cc2C(=O)C(=O)Nc2cc1)N
• Canonical SMILES: O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)N
• InChI: InChI=1S/C8H6N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H2,9,13,14)(H,10,11,12)
• InChIKey: KHHJNWWJDYSSRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
• IUPAC Traditional name: 2,3-dioxo-1H-indole-5-sulfonamide
• Synonyms: 2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide

Database IDs

• PubChem SID: 164304540
• PubChem CID: 12142411

CALCULATED PROPERTIES

• Acid pKa: 8.614162
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.20725815
• LogD (pH = 7.4): 0.18319805
• Log P: 0.20757434
• Molar Refractivity: 52.6329 cm^3
• Polarizability: 19.974888 Å^3
• Polar Surface Area: 106.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258 - 260°C
• Hydrophobicity(logP): -1.009

Product Information

• Purity: 95%