2-chloro-6-methoxyquinoline-5-sulfonyl chloride

• ChemBase ID: 261419
• Molecular Formular: C10H7Cl2NO3S
• Molecular Mass: 292.13848
• Monoisotopic Mass: 290.95236945
• SMILES: S(=O)(=O)(c1c2c(nc(cc2)Cl)ccc1OC)Cl
• Canonical SMILES: COc1ccc2c(c1S(=O)(=O)Cl)ccc(n2)Cl
• InChI: InChI=1S/C10H7Cl2NO3S/c1-16-8-4-3-7-6(2-5-9(11)13-7)10(8)17(12,14)15/h2-5H,1H3
• InChIKey: CMYLPXCZBGSNEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxyquinoline-5-sulfonyl chloride
• IUPAC Traditional name: 2-chloro-6-methoxyquinoline-5-sulfonyl chloride
• Synonyms: 2-chloro-6-methoxyquinoline-5-sulfonyl chloride

Database IDs

• MDL Number: MFCD12912883
• PubChem SID: 164317329
• PubChem CID: 45791797

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7437541
• LogD (pH = 7.4): 2.7437541
• Log P: 2.7437541
• Molar Refractivity: 66.5028 cm^3
• Polarizability: 27.487568 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 1.102

Product Information

• Purity: 95%