4-(piperidine-1-sulfonyl)phenol

• ChemBase ID: 265202
• Molecular Formular: C11H15NO3S
• Molecular Mass: 241.3067
• Monoisotopic Mass: 241.07726435
• SMILES: S(=O)(=O)(N1CCCCC1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C11H15NO3S/c13-10-4-6-11(7-5-10)16(14,15)12-8-2-1-3-9-12/h4-7,13H,1-3,8-9H2
• InChIKey: GCOFHGOPYNTGRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidine-1-sulfonyl)phenol
• IUPAC Traditional name: 4-(piperidine-1-sulfonyl)phenol
• Synonyms: 4-(piperidine-1-sulfonyl)phenol

Database IDs

• MDL Number: MFCD02709555
• PubChem SID: 164321112
• PubChem CID: 2324616

CALCULATED PROPERTIES

• Acid pKa: 8.29059
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5727316
• LogD (pH = 7.4): 1.521264
• Log P: 1.5734296
• Molar Refractivity: 62.1322 cm^3
• Polarizability: 24.708216 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 2.393

Product Information

• Purity: 95%