3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine

C17H17Cl2NO4S2 — CID 4248303

IUPAC3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H17Cl2NO4S2/c1-23-11-3-6-16(24-2)13(9-11)17-20(7-8-25-17)26(21,22)12-4-5-14(18)15(19)10-12/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyQMEFEZQCXXQBHG-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.45
Rot. Bonds5

About 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine

3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine (PubChem CID 4248303) has the molecular formula C17H17Cl2NO4S2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
PubChem CID4248303
Molecular FormulaC17H17Cl2NO4S2
Molecular Weight434.37 g/mol
Exact Mass433.00
IUPAC Name3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H17Cl2NO4S2/c1-23-11-3-6-16(24-2)13(9-11)17-20(7-8-25-17)26(21,22)12-4-5-14(18)15(19)10-12/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyQMEFEZQCXXQBHG-UHFFFAOYSA-N
XLogP4.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine (CID 4248303) is 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine is COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is QMEFEZQCXXQBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S2/c1-23-11-3-6-16(24-2)13(9-11)17-20(7-8-25-17)26(21,22)12-4-5-14(18)15(19)10-12/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 434.37 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 4248303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).