2-methylquinoline-8-sulfonyl chloride

• ChemBase ID: 286249
• Molecular Formular: C10H8ClNO2S
• Molecular Mass: 241.69402
• Monoisotopic Mass: 240.99642718
• SMILES: S(=O)(=O)(c1c2nc(ccc2ccc1)C)Cl
• Canonical SMILES: Cc1ccc2c(n1)c(ccc2)S(=O)(=O)Cl
• InChI: InChI=1S/C10H8ClNO2S/c1-7-5-6-8-3-2-4-9(10(8)12-7)15(11,13)14/h2-6H,1H3
• InChIKey: RPWDAINAYBADIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinoline-8-sulfonyl chloride
• IUPAC Traditional name: 2-methylquinoline-8-sulfonyl chloride
• Synonyms: 2-methylquinoline-8-sulfonyl chloride; 2-methyl-8-quinolinesulfonyl chloride

Database IDs

• MDL Number: MFCD17259588
• PubChem SID: 180671780
• PubChem CID: 13008152

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2085679
• LogD (pH = 7.4): 2.2085736
• Log P: 2.2085736
• Molar Refractivity: 58.765 cm^3
• Polarizability: 24.730217 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): 0.556

Product Information

• Purity: 95%