1,2-dimethyl-1H-indole-3-sulfonamide

• ChemBase ID: 286295
• Molecular Formular: C10H12N2O2S
• Molecular Mass: 224.27948
• Monoisotopic Mass: 224.06194863
• SMILES: c1(S(=O)(=O)N)c(n(c2c1cccc2)C)C
• Canonical SMILES: Cn1c2ccccc2c(c1C)S(=O)(=O)N
• InChI: InChI=1S/C10H12N2O2S/c1-7-10(15(11,13)14)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3,(H2,11,13,14)
• InChIKey: ZVNGARBMYKQLJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethyl-1H-indole-3-sulfonamide
• IUPAC Traditional name: 1,2-dimethylindole-3-sulfonamide
• Synonyms: 1,2-dimethyl-1H-indole-3-sulfonamide

Database IDs

• MDL Number: MFCD21602763
• PubChem SID: 180671826
• PubChem CID: 71695552

CALCULATED PROPERTIES

• Acid pKa: 10.049428
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1012651
• LogD (pH = 7.4): 1.1004145
• Log P: 1.1012759
• Molar Refractivity: 59.3488 cm^3
• Polarizability: 24.335733 Å^3
• Polar Surface Area: 65.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.594

Product Information

• Purity: 95%