8-methylquinoline-5-sulfonyl chloride

• ChemBase ID: 254138
• Molecular Formular: C10H8ClNO2S
• Molecular Mass: 241.69402
• Monoisotopic Mass: 240.99642718
• SMILES: S(=O)(=O)(c1c2c(nccc2)c(cc1)C)Cl
• Canonical SMILES: Cc1ccc(c2c1nccc2)S(=O)(=O)Cl
• InChI: InChI=1S/C10H8ClNO2S/c1-7-4-5-9(15(11,13)14)8-3-2-6-12-10(7)8/h2-6H,1H3
• InChIKey: JQSKUQBKUDCALN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methylquinoline-5-sulfonyl chloride
• IUPAC Traditional name: 8-methylquinoline-5-sulfonyl chloride
• Synonyms: 8-methylquinoline-5-sulfonyl chloride

Database IDs

• CAS Number: 120164-05-8
• MDL Number: MFCD09042561
• PubChem SID: 164310048
• PubChem CID: 14224770

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5905714
• LogD (pH = 7.4): 2.5906243
• Log P: 2.5906248
• Molar Refractivity: 59.2147 cm^3
• Polarizability: 24.730555 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%