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

• ChemBase ID: 80757
• Molecular Formular: C9H11ClN2O3S
• Molecular Mass: 262.71324
• Monoisotopic Mass: 262.0178909
• SMILES: S(=O)(=O)(c1cccnc1N1CCOCC1)Cl
• Canonical SMILES: ClS(=O)(=O)c1cccnc1N1CCOCC1
• InChI: InChI=1S/C9H11ClN2O3S/c10-16(13,14)8-2-1-3-11-9(8)12-4-6-15-7-5-12/h1-3H,4-7H2
• InChIKey: NSLLLGGMRRRBFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)pyridine-3-sulfonyl chloride
• IUPAC Traditional name: 2-(morpholin-4-yl)pyridine-3-sulfonyl chloride
• Synonyms: 4-[3-(Chlorosulphonyl)pyridin-2-yl]morpholine; 2-(Morpholin-4-yl)pyridine-3-sulphonyl chloride; 2-MORPHOLIN-4-YL-PYRIDINE-3-SULFONYL CHLORIDE

Database IDs

• CAS Number: 465514-17-4
• MDL Number: MFCD03086194
• PubChem SID: 162067877
• PubChem CID: 2776569

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1857438
• LogD (pH = 7.4): 1.1858757
• Log P: 1.1858773
• Molar Refractivity: 61.9119 cm^3
• Polarizability: 24.068817 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94-96°C

Safety Information

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

Product Information

• Purity: 98%