2-chloro-3-(piperidine-1-sulfonyl)pyridine

• ChemBase ID: 269838
• Molecular Formular: C10H13ClN2O2S
• Molecular Mass: 260.74042
• Monoisotopic Mass: 260.03862635
• SMILES: S(=O)(=O)(c1c(nccc1)Cl)N1CCCCC1
• Canonical SMILES: Clc1ncccc1S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C10H13ClN2O2S/c11-10-9(5-4-6-12-10)16(14,15)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2
• InChIKey: DUJDMSABZIUWIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(piperidine-1-sulfonyl)pyridine
• IUPAC Traditional name: 2-chloro-3-(piperidine-1-sulfonyl)pyridine
• Synonyms: 2-chloro-3-(piperidine-1-sulfonyl)pyridine

Database IDs

• MDL Number: MFCD12174492
• PubChem SID: 164325748
• PubChem CID: 12286952

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: 25.215645 Å^3
• Polar Surface Area: 50.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.625

Product Information

• Purity: 95%