3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine

C17H18ClNO4S2 — CID 2877294

IUPAC3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO4S2/c1-22-15-8-3-12(11-16(15)23-2)17-19(9-10-24-17)25(20,21)14-6-4-13(18)5-7-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyOMQJNGSHEUCEJW-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.79
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine

3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine (PubChem CID 2877294) has the molecular formula C17H18ClNO4S2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
PubChem CID2877294
Molecular FormulaC17H18ClNO4S2
Molecular Weight399.92 g/mol
Exact Mass399.04
IUPAC Name3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO4S2/c1-22-15-8-3-12(11-16(15)23-2)17-19(9-10-24-17)25(20,21)14-6-4-13(18)5-7-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyOMQJNGSHEUCEJW-UHFFFAOYSA-N
XLogP3.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bms-986122
CID 4644453
2-(3,4-Dimethoxy-phenyl)-3-(4-fluoro-benzenesulfonyl)-thiazolidine
CID 656153
3-Benzenesulfonyl-2-(3,4-dimethoxy-phenyl)-thiazolidine
CID 652980
2-(4-Methoxyphenyl)-1,3-thiazolan-3-yl phenyl sulfone
CID 2859306
1-(5-Chlorothiophen-2-yl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine
CID 16315670
2-(3,4-Dimethoxy-phenyl)-3-(4-methoxy-benzenesulfonyl)-thiazolidine
CID 649048
4-N-[(4-chlorophenyl)methyl]-4-N-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 1176314
2-Methoxy-4-(4-morpholinylcarbonothioyl)phenyl 4-chlorobenzenesulfonate
CID 2269255
2-Ethoxy-4-(1-piperidinylcarbonothioyl)phenyl 4-chlorobenzenesulfonate
CID 2300829
2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
CID 25708140
2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 32663166
N-[2-(4-chlorophenyl)sulfonylethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 37646025

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine (CID 2877294) is 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine is COc1ccc(C2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is OMQJNGSHEUCEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S2/c1-22-15-8-3-12(11-16(15)23-2)17-19(9-10-24-17)25(20,21)14-6-4-13(18)5-7-14/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 399.92 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 2877294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).