8-methoxyquinoline-5-sulfonyl chloride

• ChemBase ID: 72231
• Molecular Formular: C10H8ClNO3S
• Molecular Mass: 257.69342
• Monoisotopic Mass: 256.9913418
• SMILES: S(=O)(=O)(c1c2c(nccc2)c(cc1)OC)Cl
• Canonical SMILES: COc1ccc(c2c1nccc2)S(=O)(=O)Cl
• InChI: InChI=1S/C10H8ClNO3S/c1-15-8-4-5-9(16(11,13)14)7-3-2-6-12-10(7)8/h2-6H,1H3
• InChIKey: CDUVKSFUNYBONL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyquinoline-5-sulfonyl chloride
• IUPAC Traditional name: 8-methoxyquinoline-5-sulfonyl chloride
• Synonyms: 8-Methoxyquinoline-5-sulfonyl chloride; 8-Methoxyquinoline-5-sulphonyl chloride

Database IDs

• CAS Number: 90429-62-2
• MDL Number: MFCD02752892
• PubChem SID: 162037332
• PubChem CID: 3614658

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9195312
• LogD (pH = 7.4): 1.9195322
• Log P: 1.9195322
• Molar Refractivity: 60.6367 cm^3
• Polarizability: 25.510422 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88 - 90°C
• Hydrophobicity(logP): 0.352

Safety Information

• Storage Warning: Corrosive; IRRITANT

Product Information

• Purity: 95%