2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride

C18H19Cl2N3O3S2 — CID 20527120

IUPAC2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(-c2cs/c(=N\c3ccc(OC)cc3)n2C)ccc1Cl.Cl
InChIInChI=1S/C18H18ClN3O3S2.ClH/c1-20-27(23,24)17-10-12(4-9-15(17)19)16-11-26-18(22(16)2)21-13-5-7-14(25-3)8-6-13;/h4-11,20H,1-3H3;1H/b21-18-;
InChIKeyAALHPQQALYSDGO-WIPIHYDQSA-N
MW460.41 g/mol
LogP3.98
Rot. Bonds5

About 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride

2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 20527120) has the molecular formula C18H19Cl2N3O3S2 and a molecular weight of 460.41 g/mol. Its IUPAC name is 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride
PubChem CID20527120
Molecular FormulaC18H19Cl2N3O3S2
Molecular Weight460.41 g/mol
Exact Mass459.02
IUPAC Name2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(-c2cs/c(=N\c3ccc(OC)cc3)n2C)ccc1Cl.Cl
InChIInChI=1S/C18H18ClN3O3S2.ClH/c1-20-27(23,24)17-10-12(4-9-15(17)19)16-11-26-18(22(16)2)21-13-5-7-14(25-3)8-6-13;/h4-11,20H,1-3H3;1H/b21-18-;
InChIKeyAALHPQQALYSDGO-WIPIHYDQSA-N
XLogP3.98
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[4-hydroxy-2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 13091804
4-(4-Chloro-3-dimethylsulfamoylphenyl)-2-(4-hydroxyphenylimino)-3-methyl-thiazolidin-4-ol hydrobromide
CID 13091805
4-(4-Chloro-3-dimethylsulfamoylphenyl)-2-(4-hydroxyphenylimino)-3-methyl-4-thiazoline
CID 13091806
4-(4-Chloro-3-dimethylsulfamoylphenyl)-2-(4-hydroxyphenylimino)-3-methyl-4-thiazoline hydrobromide
CID 13091807
4-(4-Chloro-3-methylsulfamoylphenyl)-2-(4-hydroxyphenylimino)-3-methyl-4-thiazoline
CID 13091809
2-Chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide
CID 13091811
4-(4-Chloro-3-dimethylsulfamoylphenyl)-2-(4-propionyloxyphenylimino)-3-methyl-4-thiazoline
CID 20476830
4-(4-Chloro-3-dimethylsulfamoylphenyl)-2-(4-acetoxyphenylimino)-3-methyl-4-thiazoline
CID 20476832
4-(4-Chloro-3-methylsulfamoylphenyl)-2-(4-hydroxyphenylimino)-3-methyl-4-thiazoline hydrochloride
CID 20476842
2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 20476843
4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
CID 20527097
4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 20527098

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride (CID 20527120) is 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride is CNS(=O)(=O)c1cc(-c2cs/c(=N\c3ccc(OC)cc3)n2C)ccc1Cl.Cl.
What is the InChIKey of 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is AALHPQQALYSDGO-WIPIHYDQSA-N. The full InChI is InChI=1S/C18H18ClN3O3S2.ClH/c1-20-27(23,24)17-10-12(4-9-15(17)19)16-11-26-18(22(16)2)21-13-5-7-14(25-3)8-6-13;/h4-11,20H,1-3H3;1H/b21-18-;.
What are the key properties of 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride?
2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 460.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 20527120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).