piperidine-4-sulfonamide hydrochloride

• ChemBase ID: 269690
• Molecular Formular: C5H13ClN2O2S
• Molecular Mass: 200.68692
• Monoisotopic Mass: 200.03862635
• SMILES: S(=O)(=O)(C1CCNCC1)N.Cl
• Canonical SMILES: NS(=O)(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C5H12N2O2S.ClH/c6-10(8,9)5-1-3-7-4-2-5;/h5,7H,1-4H2,(H2,6,8,9);1H
• InChIKey: XXHJMPYOEJQTPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-4-sulfonamide hydrochloride
• IUPAC Traditional name: piperidine-4-sulfonamide hydrochloride
• Synonyms: piperidine-4-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD16990677
• PubChem SID: 164325600
• PubChem CID: 50988742

CALCULATED PROPERTIES

• Acid pKa: 11.278397
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.7602987
• LogD (pH = 7.4): -3.6667502
• Log P: -1.7364217
• Molar Refractivity: 38.4709 cm^3
• Polarizability: 16.10821 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): -1.882

Product Information

• Purity: 95%