6-methylquinoline-8-sulfonyl chloride

• ChemBase ID: 258531
• Molecular Formular: C10H8ClNO2S
• Molecular Mass: 241.69402
• Monoisotopic Mass: 240.99642718
• SMILES: S(=O)(=O)(c1c2c(cc(c1)C)cccn2)Cl
• Canonical SMILES: Cc1cc2cccnc2c(c1)S(=O)(=O)Cl
• InChI: InChI=1S/C10H8ClNO2S/c1-7-5-8-3-2-4-12-10(8)9(6-7)15(11,13)14/h2-6H,1H3
• InChIKey: JZXUJBAZGSPYJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinoline-8-sulfonyl chloride
• IUPAC Traditional name: 6-methylquinoline-8-sulfonyl chloride
• Synonyms: 6-methylquinoline-8-sulfonyl chloride; 6-methyl-8-quinolinesulfonyl chloride

Database IDs

• CAS Number: 21863-51-4
• MDL Number: MFCD09814215
• PubChem SID: 164314441
• PubChem CID: 13008155

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5906234
• LogD (pH = 7.4): 2.5906248
• Log P: 2.5906248
• Molar Refractivity: 59.2147 cm^3
• Polarizability: 24.730274 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 0.556

Product Information

• Purity: 95%; 95+%