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

• ChemBase ID: 167654
• Molecular Formular: C8H8N2O3S
• Molecular Mass: 212.22572
• Monoisotopic Mass: 212.02556313
• SMILES: c12c(NC(=O)C1)ccc(c2)S(=O)(=O)N
• Canonical SMILES: O=C1Nc2c(C1)cc(cc2)S(=O)(=O)N
• InChI: InChI=1S/C8H8N2O3S/c9-14(12,13)6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)(H2,9,12,13)
• InChIKey: PJRWVQFEVVSTKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
• IUPAC Traditional name: 2-oxo-1,3-dihydroindole-5-sulfonamide
• Synonyms: 2-Oxo-2,3-dihydro-1H-indole-5-sulfonamide; 2-Oxo-2,3-dihydro-1H-indole-5-sulfonic acid amide; 2-Oxoindoline-5-sulfonamide; 5-Aminosulfonyl-2-indolinone; 5-Aminosulfonyl-2-oxindole; 2,3-Dihydro-2-oxo-1H-indole-5-sulfonamide; 2-oxoindoline-5-sulfonamide

Database IDs

• CAS Number: 175075-24-8
• MDL Number: MFCD05844462
• PubChem SID: 162261787
• PubChem CID: 10198232

CALCULATED PROPERTIES

• Acid pKa: 10.231507
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.32192618
• LogD (pH = 7.4): -0.32248607
• Log P: -0.32191905
• Molar Refractivity: 51.7428 cm^3
• Polarizability: 19.840557 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; DMSO; THF
• Apperance: Light-Brown Solid
• Melting Point: 252 - 254°C
• Hydrophobicity(logP): -0.808

Product Information

• Purity: 95%