N-(piperidin-4-yl)benzenesulfonamide

• ChemBase ID: 34146
• Molecular Formular: C11H16N2O2S
• Molecular Mass: 240.32194
• Monoisotopic Mass: 240.09324876
• SMILES: c1(S(=O)(=O)NC2CCNCC2)ccccc1
• Canonical SMILES: O=S(=O)(c1ccccc1)NC1CCNCC1
• InChI: InChI=1S/C11H16N2O2S/c14-16(15,11-4-2-1-3-5-11)13-10-6-8-12-9-7-10/h1-5,10,12-13H,6-9H2
• InChIKey: GQWDFANHJGRRSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)benzenesulfonamide
• IUPAC Traditional name: N-(piperidin-4-yl)benzenesulfonamide
• Synonyms: N-Piperidin-4-ylbenzenesulfonamide; N-(Piperidin-4-yl)benzenesulfonamide

Database IDs

• CAS Number: 203663-15-4
• MDL Number: MFCD07365347
• PubChem SID: 160997453
• PubChem CID: 4778282

CALCULATED PROPERTIES

• Acid pKa: 10.390257
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.772236
• LogD (pH = 7.4): -2.0695043
• Log P: -0.028682081
• Molar Refractivity: 63.269 cm^3
• Polarizability: 25.609016 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): 0.533

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%