6-phenoxypyridine-3-sulfonyl chloride

• ChemBase ID: 80695
• Molecular Formular: C11H8ClNO3S
• Molecular Mass: 269.70412
• Monoisotopic Mass: 268.9913418
• SMILES: S(=O)(=O)(c1cnc(cc1)Oc1ccccc1)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C11H8ClNO3S/c12-17(14,15)10-6-7-11(13-8-10)16-9-4-2-1-3-5-9/h1-8H
• InChIKey: AHTIUBWJNYRYLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenoxypyridine-3-sulfonyl chloride
• IUPAC Traditional name: 6-phenoxypyridine-3-sulfonyl chloride
• Synonyms: 3-(Chlorosulphonyl)-6-phenoxypyridine; 5-(Chlorosulphonyl)-2-phenoxypyridine; 6-Phenoxypyridine-3-sulphonyl chloride; 6-phenoxy-3-pyridinesulfonyl chloride

Database IDs

• CAS Number: 368869-91-4
• MDL Number: MFCD02681949
• PubChem SID: 162067815
• PubChem CID: 2776499

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.796621
• LogD (pH = 7.4): 2.796621
• Log P: 2.796621
• Molar Refractivity: 64.6496 cm^3
• Polarizability: 25.83832 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-112°C

Safety Information

• Storage Warning: Corrosive/Store under Argon

Product Information

• Purity: 95%