6-chloro-N-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

• ChemBase ID: 86646
• Molecular Formular: C11H7Cl2N3O2S2
• Molecular Mass: 348.22818
• Monoisotopic Mass: 346.93567384
• SMILES: S(=O)(=O)(c1c(nc2n1ccs2)Cl)Nc1ccc(cc1)Cl
• Canonical SMILES: Clc1nc2n(c1S(=O)(=O)Nc1ccc(cc1)Cl)ccs2
• InChI: InChI=1S/C11H7Cl2N3O2S2/c12-7-1-3-8(4-2-7)15-20(17,18)10-9(13)14-11-16(10)5-6-19-11/h1-6,15H
• InChIKey: DIKAKYDXNMWEPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
• IUPAC Traditional name: 6-chloro-N-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
• Synonyms: N5-(4-chlorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulphonamide

Database IDs

• MDL Number: MFCD00203399
• PubChem SID: 162073762
• PubChem CID: 2799715

CALCULATED PROPERTIES

• Acid pKa: 6.100596
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6654782
• LogD (pH = 7.4): 1.8209342
• Log P: 2.7549
• Molar Refractivity: 90.2688 cm^3
• Polarizability: 30.892582 Å^3
• Polar Surface Area: 63.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true