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

C17H18ClNO4S2 — CID 1143484

IUPAC(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO4S2/c1-22-13-5-8-16(23-2)15(11-13)17-19(9-10-24-17)25(20,21)14-6-3-12(18)4-7-14/h3-8,11,17H,9-10H2,1-2H3/t17-/m1/s1
InChIKeyVCJQEOCYVAOMSJ-QGZVFWFLSA-N
MW399.92 g/mol
LogP3.79
Rot. Bonds5

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

(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine (PubChem CID 1143484) has the molecular formula C17H18ClNO4S2 and a molecular weight of 399.92 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
PubChem CID1143484
Molecular FormulaC17H18ClNO4S2
Molecular Weight399.92 g/mol
Exact Mass399.04
IUPAC Name(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO4S2/c1-22-13-5-8-16(23-2)15(11-13)17-19(9-10-24-17)25(20,21)14-6-3-12(18)4-7-14/h3-8,11,17H,9-10H2,1-2H3/t17-/m1/s1
InChIKeyVCJQEOCYVAOMSJ-QGZVFWFLSA-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

(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 3123287
(2R)-2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 1111423
(2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1143477
5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
CID 122330364
(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
CID 122330248
2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
CID 7013332
3-(4-iodophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 23800416
(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 1279279

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of (2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine (CID 1143484) is (2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for (2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine is COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is VCJQEOCYVAOMSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18ClNO4S2/c1-22-13-5-8-16(23-2)15(11-13)17-19(9-10-24-17)25(20,21)14-6-3-12(18)4-7-14/h3-8,11,17H,9-10H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-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 (2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 1143484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).