6-(morpholin-4-yl)pyridine-3-sulfonyl chloride

• ChemBase ID: 80667
• Molecular Formular: C9H11ClN2O3S
• Molecular Mass: 262.71324
• Monoisotopic Mass: 262.0178909
• SMILES: S(=O)(=O)(c1cnc(cc1)N1CCOCC1)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C9H11ClN2O3S/c10-16(13,14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7H,3-6H2
• InChIKey: FZQDEGBLWSULKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridine-3-sulfonyl chloride
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridine-3-sulfonyl chloride
• Synonyms: 3-(Chlorosulphonyl)-6-(morpholin-4-yl)pyridine; 6-(Morpholin-4-yl)pyridine-3-sulphonyl chloride; 6-morpholin-4-yl-pyridine-3-sulfonyl chloride

Database IDs

• CAS Number: 337508-68-6
• MDL Number: MFCD02681929
• PubChem SID: 162067787
• PubChem CID: 2776462

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1858201
• LogD (pH = 7.4): 1.1858766
• Log P: 1.1858773
• Molar Refractivity: 61.9119 cm^3
• Polarizability: 24.066319 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon

Product Information

• Purity: 97%; 98%