N-(piperidin-3-yl)benzenesulfonamide

• ChemBase ID: 270988
• Molecular Formular: C11H16N2O2S
• Molecular Mass: 240.32194
• Monoisotopic Mass: 240.09324876
• SMILES: S(=O)(=O)(NC1CNCCC1)c1ccccc1
• Canonical SMILES: O=S(=O)(c1ccccc1)NC1CCCNC1
• InChI: InChI=1S/C11H16N2O2S/c14-16(15,11-6-2-1-3-7-11)13-10-5-4-8-12-9-10/h1-3,6-7,10,12-13H,4-5,8-9H2
• InChIKey: CBUATOLLDLLJAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-3-yl)benzenesulfonamide
• IUPAC Traditional name: N-(piperidin-3-yl)benzenesulfonamide
• Synonyms: N-(piperidin-3-yl)benzenesulfonamide

Database IDs

• MDL Number: MFCD09810197
• PubChem SID: 164326898
• PubChem CID: 20118568

CALCULATED PROPERTIES

• Acid pKa: 10.196909
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1253426
• LogD (pH = 7.4): -0.64152986
• Log P: 0.6773643
• Molar Refractivity: 63.0482 cm^3
• Polarizability: 25.609009 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 1.343

Product Information

• Purity: 95%