3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide

C17H11Cl2N3O2S2 — CID 983326

IUPAC3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2N3O2S2/c18-14-5-4-13(9-15(14)19)26(23,24)21-12-3-1-2-11(8-12)16-10-22-6-7-25-17(22)20-16/h1-10,21H
InChIKeyDBJCVBFBMUPBKF-UHFFFAOYSA-N
MW424.33 g/mol
LogP5.17
Rot. Bonds4

About 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide

3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide (PubChem CID 983326) has the molecular formula C17H11Cl2N3O2S2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
PubChem CID983326
Molecular FormulaC17H11Cl2N3O2S2
Molecular Weight424.33 g/mol
Exact Mass422.97
IUPAC Name3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2N3O2S2/c18-14-5-4-13(9-15(14)19)26(23,24)21-12-3-1-2-11(8-12)16-10-22-6-7-25-17(22)20-16/h1-10,21H
InChIKeyDBJCVBFBMUPBKF-UHFFFAOYSA-N
XLogP5.17
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 7151307
6-[3-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole
CID 7488202
5-ethyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)thiophene-2-sulfonamide
CID 7151305
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-nitrobenzenesulfonamide
CID 121028684
2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide
CID 7488179
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide
CID 90518300
3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 41427613
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778520
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
CID 983313

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide (CID 983326) is 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
The InChIKey is DBJCVBFBMUPBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2S2/c18-14-5-4-13(9-15(14)19)26(23,24)21-12-3-1-2-11(8-12)16-10-22-6-7-25-17(22)20-16/h1-10,21H.
What are the key properties of 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide has a molecular weight of 424.33 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 983326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).