4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide

C19H20ClN3O3S2 — CID 20527098

IUPAC4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(/N=c2\scc(-c3cc(S(=O)(=O)N(C)C)ccc3Cl)n2C)cc1
InChIInChI=1S/C19H20ClN3O3S2/c1-22(2)28(24,25)15-9-10-17(20)16(11-15)18-12-27-19(23(18)3)21-13-5-7-14(26-4)8-6-13/h5-12H,1-4H3/b21-19-
InChIKeyGPYWIYGXFILFOE-VZCXRCSSSA-N
MW437.97 g/mol
LogP3.90
Rot. Bonds5

About 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide

4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 20527098) has the molecular formula C19H20ClN3O3S2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID20527098
Molecular FormulaC19H20ClN3O3S2
Molecular Weight437.97 g/mol
Exact Mass437.06
IUPAC Name4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(/N=c2\scc(-c3cc(S(=O)(=O)N(C)C)ccc3Cl)n2C)cc1
InChIInChI=1S/C19H20ClN3O3S2/c1-22(2)28(24,25)15-9-10-17(20)16(11-15)18-12-27-19(23(18)3)21-13-5-7-14(26-4)8-6-13/h5-12H,1-4H3/b21-19-
InChIKeyGPYWIYGXFILFOE-VZCXRCSSSA-N
XLogP3.90
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (CID 20527098) is 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide is COc1ccc(/N=c2\scc(-c3cc(S(=O)(=O)N(C)C)ccc3Cl)n2C)cc1.
What is the InChIKey of 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GPYWIYGXFILFOE-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H20ClN3O3S2/c1-22(2)28(24,25)15-9-10-17(20)16(11-15)18-12-27-19(23(18)3)21-13-5-7-14(26-4)8-6-13/h5-12H,1-4H3/b21-19-.
What are the key properties of 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 437.97 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 20527098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).