cyclohexanesulfonamide

• ChemBase ID: 265685
• Molecular Formular: C6H13NO2S
• Molecular Mass: 163.23792
• Monoisotopic Mass: 163.06669966
• SMILES: S(=O)(=O)(C1CCCCC1)N
• Canonical SMILES: NS(=O)(=O)C1CCCCC1
• InChI: InChI=1S/C6H13NO2S/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8,9)
• InChIKey: AAYHAFZXFMIUSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexanesulfonamide
• IUPAC Traditional name: cyclohexanesulfonamide
• Synonyms: cyclohexanesulfonamide; cyclohexylsulfonamide

Database IDs

• CAS Number: 2438-38-2
• MDL Number: MFCD01734812
• PubChem SID: 164321595
• PubChem CID: 75536

CALCULATED PROPERTIES

• Acid pKa: 11.337663
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5683989
• LogD (pH = 7.4): 0.568355
• Log P: 0.5683994
• Molar Refractivity: 39.3287 cm^3
• Polarizability: 16.405636 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): 0.537

Product Information

• Purity: 95%; 98%