8-chloro-3-iodoquinoline-5-sulfonyl chloride

• ChemBase ID: 278706
• Molecular Formular: C9H4Cl2INO2S
• Molecular Mass: 388.00903
• Monoisotopic Mass: 386.83845273
• SMILES: S(=O)(=O)(c1c2c(ncc(c2)I)c(cc1)Cl)Cl
• Canonical SMILES: Ic1cnc2c(c1)c(ccc2Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C9H4Cl2INO2S/c10-7-1-2-8(16(11,14)15)6-3-5(12)4-13-9(6)7/h1-4H
• InChIKey: FEXXMZMDBZKNNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-3-iodoquinoline-5-sulfonyl chloride
• IUPAC Traditional name: 8-chloro-3-iodoquinoline-5-sulfonyl chloride
• Synonyms: 8-chloro-3-iodoquinoline-5-sulfonyl chloride

Database IDs

• MDL Number: MFCD19982614
• PubChem SID: 164334616
• PubChem CID: 54594967

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6101925
• LogD (pH = 7.4): 3.6101925
• Log P: 3.6101925
• Molar Refractivity: 72.3408 cm^3
• Polarizability: 30.200935 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.999

Product Information

• Purity: 95%