2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide

C17H12ClN3O2S2 — CID 90626756

IUPAC2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2ccsc2n1)c1ccccc1Cl
InChIInChI=1S/C17H12ClN3O2S2/c18-13-6-2-4-8-16(13)25(22,23)20-14-7-3-1-5-12(14)15-11-21-9-10-24-17(21)19-15/h1-11,20H
InChIKeyHFXZQELTTJPLRM-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.52
Rot. Bonds4

About 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide

2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide (PubChem CID 90626756) has the molecular formula C17H12ClN3O2S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
PubChem CID90626756
Molecular FormulaC17H12ClN3O2S2
Molecular Weight389.89 g/mol
Exact Mass389.01
IUPAC Name2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2ccsc2n1)c1ccccc1Cl
InChIInChI=1S/C17H12ClN3O2S2/c18-13-6-2-4-8-16(13)25(22,23)20-14-7-3-1-5-12(14)15-11-21-9-10-24-17(21)19-15/h1-11,20H
InChIKeyHFXZQELTTJPLRM-UHFFFAOYSA-N
XLogP4.52
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide
CID 90626777
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-2-sulfonamide
CID 90626781
2-chloro-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121149776
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide
CID 90626747
1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 90626818
3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 90625926
(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide
CID 90625813
2-(4-chlorophenoxy)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 90625722
2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 90625740
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 90625793
6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 115403259
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 3528662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide (CID 90626756) is 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1-c1cn2ccsc2n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
The InChIKey is HFXZQELTTJPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S2/c18-13-6-2-4-8-16(13)25(22,23)20-14-7-3-1-5-12(14)15-11-21-9-10-24-17(21)19-15/h1-11,20H.
What are the key properties of 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide has a molecular weight of 389.89 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 90626756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).