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

• ChemBase ID: 253391
• Molecular Formular: C9H10N2O3S
• Molecular Mass: 226.2523
• Monoisotopic Mass: 226.04121319
• SMILES: S(=O)(=O)(c1cc2c(N(C(=O)C2)C)cc1)N
• Canonical SMILES: O=C1Cc2c(N1C)ccc(c2)S(=O)(=O)N
• InChI: InChI=1S/C9H10N2O3S/c1-11-8-3-2-7(15(10,13)14)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H2,10,13,14)
• InChIKey: BYFWIMWXANJNGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03854806
• PubChem SID: 164309301
• PubChem CID: 1517669

CALCULATED PROPERTIES

• Acid pKa: 10.218338
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.45786035
• LogD (pH = 7.4): -0.45843735
• Log P: -0.457853
• Molar Refractivity: 54.8587 cm^3
• Polarizability: 21.663715 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.659

Product Information

• Purity: 95%