6-methylquinoline-5-sulfonyl chloride

• ChemBase ID: 258527
• Molecular Formular: C10H8ClNO2S
• Molecular Mass: 241.69402
• Monoisotopic Mass: 240.99642718
• SMILES: S(=O)(=O)(c1c2c(nccc2)ccc1C)Cl
• Canonical SMILES: Cc1ccc2c(c1S(=O)(=O)Cl)cccn2
• InChI: InChI=1S/C10H8ClNO2S/c1-7-4-5-9-8(3-2-6-12-9)10(7)15(11,13)14/h2-6H,1H3
• InChIKey: ZBRUNFIHRXZETH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinoline-5-sulfonyl chloride
• IUPAC Traditional name: 6-methylquinoline-5-sulfonyl chloride
• Synonyms: 6-methylquinoline-5-sulfonyl chloride

Database IDs

• MDL Number: MFCD11857827
• PubChem SID: 164314437
• PubChem CID: 43810785

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5905452
• LogD (pH = 7.4): 2.5906239
• Log P: 2.5906248
• Molar Refractivity: 59.2147 cm^3
• Polarizability: 24.730299 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.556

Product Information

• Purity: 95%