4-[(6-chloropyridin-3-yl)sulfonyl]morpholine

• ChemBase ID: 232110
• Molecular Formular: C9H11ClN2O3S
• Molecular Mass: 262.71324
• Monoisotopic Mass: 262.0178909
• SMILES: S(=O)(=O)(N1CCOCC1)c1cnc(cc1)Cl
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C9H11ClN2O3S/c10-9-2-1-8(7-11-9)16(13,14)12-3-5-15-6-4-12/h1-2,7H,3-6H2
• InChIKey: BHGFDIYEFUUCNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-chloropyridin-3-yl)sulfonyl]morpholine
• IUPAC Traditional name: 4-(6-chloropyridin-3-ylsulfonyl)morpholine
• Synonyms: 4-(6-Chloro-pyridine-3-sulfonyl)-morpholine

Database IDs

• CAS Number: 52480-33-8
• MDL Number: MFCD03504917
• PubChem SID: 164288020
• PubChem CID: 274147

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.41467768
• LogD (pH = 7.4): 0.41467768
• Log P: 0.41467768
• Molar Refractivity: 60.793 cm^3
• Polarizability: 24.117264 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): 0.678

Product Information

• Purity: 95%