quinoline-3-sulfonyl chloride

• ChemBase ID: 177297
• Molecular Formular: C9H6ClNO2S
• Molecular Mass: 227.66744
• Monoisotopic Mass: 226.98077712
• SMILES: c1ccc2c(c1)ncc(c2)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)c1cnc2c(c1)cccc2
• InChI: InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
• InChIKey: VSAXLHSQUHPTCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-3-sulfonyl chloride
• IUPAC Traditional name: quinoline-3-sulfonyl chloride
• Synonyms: Quinoline-3-sulfonyl Chloride

Database IDs

• CAS Number: 159182-40-8
• MDL Number: MFCD06739117
• PubChem SID: 164233207
• PubChem CID: 22674108

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0772026
• LogD (pH = 7.4): 2.0772035
• Log P: 2.0772035
• Molar Refractivity: 54.1735 cm^3
• Polarizability: 22.967844 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO
• Apperance: Yellow Solid

Safety Information

• Storage Condition: Hygroscopic, Store under Inert atmosphere -20°C Freezer

Product Information

• Purity: 95+%; 98%