1-(4-cyclohexylbenzenesulfonyl)piperazine

• ChemBase ID: 239393
• Molecular Formular: C16H24N2O2S
• Molecular Mass: 308.43896
• Monoisotopic Mass: 308.15584902
• SMILES: S(=O)(=O)(N1CCNCC1)c1ccc(cc1)C1CCCCC1
• Canonical SMILES: O=S(=O)(c1ccc(cc1)C1CCCCC1)N1CCNCC1
• InChI: InChI=1S/C16H24N2O2S/c19-21(20,18-12-10-17-11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-13H2
• InChIKey: QKGAPWSNYBJDKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-cyclohexylbenzenesulfonyl)piperazine
• IUPAC Traditional name: 1-(4-cyclohexylbenzenesulfonyl)piperazine
• Synonyms: 1-[(4-cyclohexylphenyl)sulfonyl]piperazine

Database IDs

• MDL Number: MFCD06254976
• PubChem SID: 164295303
• PubChem CID: 2512726

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9440449
• LogD (pH = 7.4): 2.4070988
• Log P: 2.6056895
• Molar Refractivity: 84.9563 cm^3
• Polarizability: 34.00332 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.889

Product Information

• Purity: 95%