3,4-dihydronaphthalene-2-sulfonamide

• ChemBase ID: 265680
• Molecular Formular: C10H11NO2S
• Molecular Mass: 209.26484
• Monoisotopic Mass: 209.0510496
• SMILES: S(=O)(=O)(C1=Cc2c(CC1)cccc2)N
• Canonical SMILES: NS(=O)(=O)C1=Cc2c(CC1)cccc2
• InChI: InChI=1S/C10H11NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,7H,5-6H2,(H2,11,12,13)
• InChIKey: HNARYJMYPMJFET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydronaphthalene-2-sulfonamide
• IUPAC Traditional name: 3,4-dihydronaphthalene-2-sulfonamide
• Synonyms: 3,4-dihydronaphthalene-2-sulfonamide

Database IDs

• MDL Number: MFCD09741183
• PubChem SID: 164321590
• PubChem CID: 16794353

CALCULATED PROPERTIES

• Acid pKa: 11.019927
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.229119
• LogD (pH = 7.4): 1.2290277
• Log P: 1.2291201
• Molar Refractivity: 56.8801 cm^3
• Polarizability: 22.028202 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.233

Product Information

• Purity: 95%