4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide

C19H19ClN2O2S2 — CID 5121124

IUPAC4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H19ClN2O2S2/c1-3-22(4-2)26(23,24)17-11-7-14(8-12-17)18-13-25-19(21-18)15-5-9-16(20)10-6-15/h5-13H,3-4H2,1-2H3
InChIKeyIJGSODJVAUCBQY-UHFFFAOYSA-N
MW406.96 g/mol
LogP5.16
Rot. Bonds6

About 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide

4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide (PubChem CID 5121124) has the molecular formula C19H19ClN2O2S2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
PubChem CID5121124
Molecular FormulaC19H19ClN2O2S2
Molecular Weight406.96 g/mol
Exact Mass406.06
IUPAC Name4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H19ClN2O2S2/c1-3-22(4-2)26(23,24)17-11-7-14(8-12-17)18-13-25-19(21-18)15-5-9-16(20)10-6-15/h5-13H,3-4H2,1-2H3
InChIKeyIJGSODJVAUCBQY-UHFFFAOYSA-N
XLogP5.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide 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-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide (CID 5121124) is 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide?
The InChIKey is IJGSODJVAUCBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S2/c1-3-22(4-2)26(23,24)17-11-7-14(8-12-17)18-13-25-19(21-18)15-5-9-16(20)10-6-15/h5-13H,3-4H2,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide?
4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide has a molecular weight of 406.96 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 5121124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).