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

C18H14ClN3O2S2 — CID 90626777

IUPAC3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C18H14ClN3O2S2/c1-12-14(19)6-4-8-17(12)26(23,24)21-15-7-3-2-5-13(15)16-11-22-9-10-25-18(22)20-16/h2-11,21H,1H3
InChIKeyLRAUJJLCVMBOCO-UHFFFAOYSA-N
MW403.92 g/mol
LogP4.83
Rot. Bonds4

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

3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide (PubChem CID 90626777) has the molecular formula C18H14ClN3O2S2 and a molecular weight of 403.92 g/mol. Its IUPAC name is 3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide
PubChem CID90626777
Molecular FormulaC18H14ClN3O2S2
Molecular Weight403.92 g/mol
Exact Mass403.02
IUPAC Name3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C18H14ClN3O2S2/c1-12-14(19)6-4-8-17(12)26(23,24)21-15-7-3-2-5-13(15)16-11-22-9-10-25-18(22)20-16/h2-11,21H,1H3
InChIKeyLRAUJJLCVMBOCO-UHFFFAOYSA-N
XLogP4.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 90626756
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
6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 115403259
3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 90625926
1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 90626818
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 90625793
(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-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 119099871
2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 90625740

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide (CID 90626777) is 3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1-c1cn2ccsc2n1.
What is the InChIKey of 3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is LRAUJJLCVMBOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S2/c1-12-14(19)6-4-8-17(12)26(23,24)21-15-7-3-2-5-13(15)16-11-22-9-10-25-18(22)20-16/h2-11,21H,1H3.
What are the key properties of 3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide?
3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 403.92 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 90626777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).