5,6,7,8-tetrahydronaphthalene-2-sulfonamide

• ChemBase ID: 253386
• Molecular Formular: C10H13NO2S
• Molecular Mass: 211.28072
• Monoisotopic Mass: 211.06669966
• SMILES: S(=O)(=O)(c1cc2c(cc1)CCCC2)N
• Canonical SMILES: NS(=O)(=O)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C10H13NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,11,12,13)
• InChIKey: NDQUBPLFXGTFFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalene-2-sulfonamide
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalene-2-sulfonamide
• Synonyms: 5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Database IDs

• MDL Number: MFCD09739943
• PubChem SID: 164309296
• PubChem CID: 8317969

CALCULATED PROPERTIES

• Acid pKa: 10.458185
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0315266
• LogD (pH = 7.4): 2.0311944
• Log P: 2.0315309
• Molar Refractivity: 55.6981 cm^3
• Polarizability: 22.08972 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 1.877

Product Information

• Purity: 95%