4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide

C18H18Br2ClN3O2S2 — CID 20527160

IUPAC4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
SMILESBr.CN(C)S(=O)(=O)c1ccc(Br)c(-c2cs/c(=N\c3ccccc3Cl)n2C)c1
InChIInChI=1S/C18H17BrClN3O2S2.BrH/c1-22(2)27(24,25)12-8-9-14(19)13(10-12)17-11-26-18(23(17)3)21-16-7-5-4-6-15(16)20;/h4-11H,1-3H3;1H/b21-18-;
InChIKeyQQJBYKHYOWSFGG-WIPIHYDQSA-N
MW567.76 g/mol
LogP5.23
Rot. Bonds4

About 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide

4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide (PubChem CID 20527160) has the molecular formula C18H18Br2ClN3O2S2 and a molecular weight of 567.76 g/mol. Its IUPAC name is 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide.

Molecular Properties

Compound Name4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
PubChem CID20527160
Molecular FormulaC18H18Br2ClN3O2S2
Molecular Weight567.76 g/mol
Exact Mass564.89
IUPAC Name4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
SMILESBr.CN(C)S(=O)(=O)c1ccc(Br)c(-c2cs/c(=N\c3ccccc3Cl)n2C)c1
InChIInChI=1S/C18H17BrClN3O2S2.BrH/c1-22(2)27(24,25)12-8-9-14(19)13(10-12)17-11-26-18(23(17)3)21-16-7-5-4-6-15(16)20;/h4-11H,1-3H3;1H/b21-18-;
InChIKeyQQJBYKHYOWSFGG-WIPIHYDQSA-N
XLogP5.23
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.76
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide 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

3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N,4-trimethylbenzenesulfonamide
CID 20527113
5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N,2-trimethylbenzenesulfonamide
CID 20527243
4-chloro-N-methyl-3-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrobromide
CID 20527344
2-chloro-N,N-diethyl-5-[3-methyl-2-(2-methylphenyl)imino-1,3-thiazol-4-yl]benzenesulfonamide
CID 20527313
2-chloro-5-[3-methyl-2-(2-methylphenyl)imino-1,3-thiazol-4-yl]benzenesulfonyl chloride;hydrobromide
CID 20527177
4-chloro-N-methyl-3-[3-methyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl]benzenesulfonamide;hydrobromide
CID 20527474
3-methyl-N-[4-[4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]phenyl]sulfonylphenyl]-4-phenyl-1,3-thiazol-2-imine
CID 122373825
2-chloro-5-[2-(4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 20527209
2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
CID 20527217
2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
CID 20527165
3-[[4-(2-fluorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-ylidene]amino]-N,N,4-trimethylbenzenesulfonamide
CID 6092960
N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5229362

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
The IUPAC name of 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide (CID 20527160) is 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide.
What is the SMILES notation for 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
The canonical SMILES for 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide is Br.CN(C)S(=O)(=O)c1ccc(Br)c(-c2cs/c(=N\c3ccccc3Cl)n2C)c1.
What is the InChIKey of 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
The InChIKey is QQJBYKHYOWSFGG-WIPIHYDQSA-N. The full InChI is InChI=1S/C18H17BrClN3O2S2.BrH/c1-22(2)27(24,25)12-8-9-14(19)13(10-12)17-11-26-18(23(17)3)21-16-7-5-4-6-15(16)20;/h4-11H,1-3H3;1H/b21-18-;.
What are the key properties of 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide has a molecular weight of 567.76 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide is sourced from PubChem (CID 20527160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).