2-methylnaphthalene-1-sulfonamide

• ChemBase ID: 276004
• Molecular Formular: C11H11NO2S
• Molecular Mass: 221.27554
• Monoisotopic Mass: 221.0510496
• SMILES: S(=O)(=O)(c1c2c(ccc1C)cccc2)N
• Canonical SMILES: Cc1ccc2c(c1S(=O)(=O)N)cccc2
• InChI: InChI=1S/C11H11NO2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3,(H2,12,13,14)
• InChIKey: KGGHOGYMVWREPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylnaphthalene-1-sulfonamide
• IUPAC Traditional name: 2-methylnaphthalene-1-sulfonamide
• Synonyms: 2-methylnaphthalene-1-sulfonamide

Database IDs

• MDL Number: MFCD19382007
• PubChem SID: 164331914
• PubChem CID: 19607147

CALCULATED PROPERTIES

• Acid pKa: 10.178808
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0821667
• LogD (pH = 7.4): 2.081535
• Log P: 2.0821748
• Molar Refractivity: 59.7073 cm^3
• Polarizability: 24.876938 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.978

Product Information

• Purity: 95%