6-chloro-8-methylquinoline-5-sulfonyl chloride

• ChemBase ID: 236477
• Molecular Formular: C10H7Cl2NO2S
• Molecular Mass: 276.13908
• Monoisotopic Mass: 274.95745483
• SMILES: S(=O)(=O)(c1c2c(c(cc1Cl)C)nccc2)Cl
• Canonical SMILES: Clc1cc(C)c2c(c1S(=O)(=O)Cl)cccn2
• InChI: InChI=1S/C10H7Cl2NO2S/c1-6-5-8(11)10(16(12,14)15)7-3-2-4-13-9(6)7/h2-5H,1H3
• InChIKey: FFFZFRFRFOFSCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-8-methylquinoline-5-sulfonyl chloride
• IUPAC Traditional name: 6-chloro-8-methylquinoline-5-sulfonyl chloride
• Synonyms: 6-chloro-8-methylquinoline-5-sulfonyl chloride

Database IDs

• MDL Number: MFCD11650110
• PubChem SID: 164292387
• PubChem CID: 43362911

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1946597
• LogD (pH = 7.4): 3.1946695
• Log P: 3.1946695
• Molar Refractivity: 64.0195 cm^3
• Polarizability: 26.6604 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): 1.332

Product Information

• Purity: 95%