hexane-2-sulfonamide

• ChemBase ID: 273997
• Molecular Formular: C6H15NO2S
• Molecular Mass: 165.2538
• Monoisotopic Mass: 165.08234973
• SMILES: S(=O)(=O)(N)C(CCCC)C
• Canonical SMILES: CCCCC(S(=O)(=O)N)C
• InChI: InChI=1S/C6H15NO2S/c1-3-4-5-6(2)10(7,8)9/h6H,3-5H2,1-2H3,(H2,7,8,9)
• InChIKey: VBYBSBGCKDDXBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexane-2-sulfonamide
• IUPAC Traditional name: hexane-2-sulfonamide
• Synonyms: hexane-2-sulfonamide

Database IDs

• MDL Number: MFCD16672076
• PubChem SID: 164329907
• PubChem CID: 18783115

CALCULATED PROPERTIES

• Acid pKa: 11.708739
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.95417136
• LogD (pH = 7.4): 0.9541527
• Log P: 0.9541716
• Molar Refractivity: 41.2079 cm^3
• Polarizability: 17.119106 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.931

Product Information

• Purity: 95%