6-amino-N-methylnaphthalene-2-sulfonamide

• ChemBase ID: 797347
• Molecular Formular: C11H12N2O2S
• Molecular Mass: 236.29018
• Monoisotopic Mass: 236.06194863
• SMILES: c1cc2c(cc1N)ccc(c2)S(=O)(=O)NC
• Canonical SMILES: CNS(=O)(=O)c1ccc2c(c1)ccc(c2)N
• InChI: InChI=1S/C11H12N2O2S/c1-13-16(14,15)11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,13H,12H2,1H3
• InChIKey: RBQODZRXIYFUJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N-methylnaphthalene-2-sulfonamide
• IUPAC Traditional name: 6-amino-N-methylnaphthalene-2-sulfonamide
• Synonyms: 6-AMino-N-Methylnaphthalene-2-sulfonaMide

Database IDs

• CAS Number: 104295-55-8

CALCULATED PROPERTIES

• Acid pKa: 10.09595
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9551798
• LogD (pH = 7.4): 0.9626239
• Log P: 0.9635035
• Molar Refractivity: 64.2632 cm^3
• Polarizability: 26.079899 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%