2-hydroxy-4-methylquinoline-6-sulfonyl chloride

• ChemBase ID: 308952
• Molecular Formular: C10H8ClNO3S
• Molecular Mass: 257.69342
• Monoisotopic Mass: 256.9913418
• SMILES: S(=O)(=O)(c1cc2c(nc(cc2C)O)cc1)Cl
• Canonical SMILES: Oc1cc(C)c2c(n1)ccc(c2)S(=O)(=O)Cl
• InChI: InChI=1S/C10H8ClNO3S/c1-6-4-10(13)12-9-3-2-7(5-8(6)9)16(11,14)15/h2-5H,1H3,(H,12,13)
• InChIKey: NOEOALFXEBXCOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-4-methylquinoline-6-sulfonyl chloride
• IUPAC Traditional name: 2-hydroxy-4-methylquinoline-6-sulfonyl chloride
• Synonyms: 2-hydroxy-4-methyl-6-quinolinesulfonyl chloride

Database IDs

• CAS Number: 1160370-78-4
• MDL Number: MFCD13188580

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.881333
• LogD (pH = 7.4): 2.8814127
• Log P: 2.8815172
• Molar Refractivity: 61.5091 cm^3
• Polarizability: 25.355188 Å^3
• Polar Surface Area: 67.26 Å^2