2-chloro-5-(piperidine-1-sulfonyl)pyridine

• ChemBase ID: 232111
• Molecular Formular: C10H13ClN2O2S
• Molecular Mass: 260.74042
• Monoisotopic Mass: 260.03862635
• SMILES: S(=O)(=O)(c1cnc(cc1)Cl)N1CCCCC1
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C10H13ClN2O2S/c11-10-5-4-9(8-12-10)16(14,15)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
• InChIKey: DIZNLVKQRLBFHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(piperidine-1-sulfonyl)pyridine
• IUPAC Traditional name: 2-chloro-5-(piperidine-1-sulfonyl)pyridine
• Synonyms: 2-Chloro-5-(piperidine-1-sulfonyl)-pyridine

Database IDs

• CAS Number: 64614-52-4
• MDL Number: MFCD03504896
• PubChem SID: 164288021
• PubChem CID: 2433201

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4835442
• LogD (pH = 7.4): 1.4835442
• Log P: 1.4835442
• Molar Refractivity: 63.8605 cm^3
• Polarizability: 25.193594 Å^3
• Polar Surface Area: 50.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 1.925

Product Information

• Purity: 95%