pentane-1-sulfonamide

• ChemBase ID: 273489
• Molecular Formular: C5H13NO2S
• Molecular Mass: 151.22722
• Monoisotopic Mass: 151.06669966
• SMILES: S(=O)(=O)(N)CCCCC
• Canonical SMILES: CCCCCS(=O)(=O)N
• InChI: InChI=1S/C5H13NO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H2,6,7,8)
• InChIKey: ICFQGMYPBURXAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentane-1-sulfonamide
• IUPAC Traditional name: pentane-1-sulfonamide
• Synonyms: pentane-1-sulfonamide

Database IDs

• MDL Number: MFCD09800672
• PubChem SID: 164329399
• PubChem CID: 10920696

CALCULATED PROPERTIES

• Acid pKa: 11.691731
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.38540712
• LogD (pH = 7.4): 0.38538772
• Log P: 0.3854074
• Molar Refractivity: 36.6653 cm^3
• Polarizability: 15.289347 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 0.622

Product Information

• Purity: 95%