N-(2-hydroxyethyl)-3-(piperidine-1-sulfonyl)benzamide

• ChemBase ID: 229997
• Molecular Formular: C14H20N2O4S
• Molecular Mass: 312.3846
• Monoisotopic Mass: 312.11437813
• SMILES: S(=O)(=O)(N1CCCCC1)c1cc(C(=O)NCCO)ccc1
• Canonical SMILES: OCCNC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C14H20N2O4S/c17-10-7-15-14(18)12-5-4-6-13(11-12)21(19,20)16-8-2-1-3-9-16/h4-6,11,17H,1-3,7-10H2,(H,15,18)
• InChIKey: GKNAWIIJTLOHNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-3-(piperidine-1-sulfonyl)benzamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-3-(piperidine-1-sulfonyl)benzamide
• Synonyms: N-(2-Hydroxy-ethyl)-3-(piperidine-1-sulfonyl)-benzamide

Database IDs

• MDL Number: MFCD02711514
• PubChem SID: 164285907
• PubChem CID: 2329114

CALCULATED PROPERTIES

• Acid pKa: 13.9696045
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.26120907
• LogD (pH = 7.4): 0.2612091
• Log P: 0.2612092
• Molar Refractivity: 80.4187 cm^3
• Polarizability: 31.278776 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 68°C
• Hydrophobicity(logP): 1.048

Product Information

• Purity: 95%