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

C17H12BrN3O2S2 — CID 41427613

IUPAC4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN3O2S2/c18-13-3-7-15(8-4-13)25(22,23)20-14-5-1-12(2-6-14)16-11-21-9-10-24-17(21)19-16/h1-11,20H
InChIKeyWRFSVUUQQPHCOK-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.63
Rot. Bonds4

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

4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide (PubChem CID 41427613) has the molecular formula C17H12BrN3O2S2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
PubChem CID41427613
Molecular FormulaC17H12BrN3O2S2
Molecular Weight434.34 g/mol
Exact Mass432.96
IUPAC Name4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN3O2S2/c18-13-3-7-15(8-4-13)25(22,23)20-14-5-1-12(2-6-14)16-11-21-9-10-24-17(21)19-16/h1-11,20H
InChIKeyWRFSVUUQQPHCOK-UHFFFAOYSA-N
XLogP4.63
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide
CID 83084144
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-nitrobenzenesulfonamide
CID 121028684
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide
CID 40696843
4-acetyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 7151307
3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 983326
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7488298
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34739366
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzenesulfonamide
CID 695162
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide (CID 41427613) is 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
The InChIKey is WRFSVUUQQPHCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2S2/c18-13-3-7-15(8-4-13)25(22,23)20-14-5-1-12(2-6-14)16-11-21-9-10-24-17(21)19-16/h1-11,20H.
What are the key properties of 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide?
4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide has a molecular weight of 434.34 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 41427613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).