4-cyclohexylbenzene-1-sulfonamide

• ChemBase ID: 253385
• Molecular Formular: C12H17NO2S
• Molecular Mass: 239.33388
• Monoisotopic Mass: 239.09799979
• SMILES: S(=O)(=O)(c1ccc(cc1)C1CCCCC1)N
• Canonical SMILES: NS(=O)(=O)c1ccc(cc1)C1CCCCC1
• InChI: InChI=1S/C12H17NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,13,14,15)
• InChIKey: BVXOWKKFUMLIDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-cyclohexylbenzenesulfonamide
• Synonyms: 4-cyclohexylbenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD02633832
• PubChem SID: 164309295
• PubChem CID: 877260

CALCULATED PROPERTIES

• Acid pKa: 10.40663
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.694261
• LogD (pH = 7.4): 2.693887
• Log P: 2.6942658
• Molar Refractivity: 64.4075 cm^3
• Polarizability: 25.84146 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.925

Product Information

• Purity: 95%