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

C17H15ClN2O2S2 — CID 1032911

IUPAC4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN2O2S2/c1-20(2)24(21,22)15-9-5-12(6-10-15)16-11-23-17(19-16)13-3-7-14(18)8-4-13/h3-11H,1-2H3
InChIKeyISIDHYZPCCPHBF-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.38
Rot. Bonds4

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

4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 1032911) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID1032911
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC Name4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN2O2S2/c1-20(2)24(21,22)15-9-5-12(6-10-15)16-11-23-17(19-16)13-3-7-14(18)8-4-13/h3-11H,1-2H3
InChIKeyISIDHYZPCCPHBF-UHFFFAOYSA-N
XLogP4.38
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (CID 1032911) is 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide is CN(C)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-dimethylbenzenesulfonamide?
The InChIKey is ISIDHYZPCCPHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c1-20(2)24(21,22)15-9-5-12(6-10-15)16-11-23-17(19-16)13-3-7-14(18)8-4-13/h3-11H,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 378.91 g/mol, XLogP of 4.38, 4 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-dimethylbenzenesulfonamide is sourced from PubChem (CID 1032911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).