1-methyl-1H-indole-3-sulfonamide

• ChemBase ID: 244605
• Molecular Formular: C9H10N2O2S
• Molecular Mass: 210.2529
• Monoisotopic Mass: 210.04629857
• SMILES: c1(S(=O)(=O)N)cn(c2c1cccc2)C
• Canonical SMILES: Cn1cc(c2c1cccc2)S(=O)(=O)N
• InChI: InChI=1S/C9H10N2O2S/c1-11-6-9(14(10,12)13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H2,10,12,13)
• InChIKey: WSUHENVFEGFSEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indole-3-sulfonamide
• IUPAC Traditional name: 1-methylindole-3-sulfonamide
• Synonyms: 1-methyl-1H-indole-3-sulfonamide

Database IDs

• MDL Number: MFCD21884254
• PubChem SID: 164300515
• PubChem CID: 18331867

CALCULATED PROPERTIES

• Acid pKa: 9.838279
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.901697
• LogD (pH = 7.4): 0.9003149
• Log P: 0.9017146
• Molar Refractivity: 54.1991 cm^3
• Polarizability: 22.57289 Å^3
• Polar Surface Area: 65.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194 - 196°C
• Hydrophobicity(logP): 1.095

Product Information

• Purity: 95%