6-amino-2,3-dihydro-1H-indole-1-sulfonamide hydrochloride

• ChemBase ID: 260495
• Molecular Formular: C8H12ClN3O2S
• Molecular Mass: 249.71778
• Monoisotopic Mass: 249.03387532
• SMILES: S(=O)(=O)(N1c2cc(N)ccc2CC1)N.Cl
• Canonical SMILES: Nc1ccc2c(c1)N(CC2)S(=O)(=O)N.Cl
• InChI: InChI=1S/C8H11N3O2S.ClH/c9-7-2-1-6-3-4-11(8(6)5-7)14(10,12)13;/h1-2,5H,3-4,9H2,(H2,10,12,13);1H
• InChIKey: RAZHKCAFNWSFHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2,3-dihydro-1H-indole-1-sulfonamide hydrochloride
• IUPAC Traditional name: 6-amino-2,3-dihydroindole-1-sulfonamide hydrochloride
• Synonyms: 6-amino-2,3-dihydro-1H-indole-1-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD12197223
• PubChem SID: 164316405
• PubChem CID: 45791604

CALCULATED PROPERTIES

• Acid pKa: 10.531335
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6913771
• LogD (pH = 7.4): -0.6755246
• Log P: -0.67503077
• Molar Refractivity: 54.4226 cm^3
• Polarizability: 21.284967 Å^3
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197 - 199°C
• Hydrophobicity(logP): 0.23

Product Information

• Purity: 95%