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

C16H16ClNO2S2 — CID 3131120

IUPAC2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S2/c1-12-6-8-13(9-7-12)22(19,20)18-10-11-21-16(18)14-4-2-3-5-15(14)17/h2-9,16H,10-11H2,1H3
InChIKeyIIJPEKIOKZREMW-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.08
Rot. Bonds3

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

2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3131120) has the molecular formula C16H16ClNO2S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID3131120
Molecular FormulaC16H16ClNO2S2
Molecular Weight353.90 g/mol
Exact Mass353.03
IUPAC Name2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S2/c1-12-6-8-13(9-7-12)22(19,20)18-10-11-21-16(18)14-4-2-3-5-15(14)17/h2-9,16H,10-11H2,1H3
InChIKeyIIJPEKIOKZREMW-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (CID 3131120) is 2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is Cc1ccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is IIJPEKIOKZREMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S2/c1-12-6-8-13(9-7-12)22(19,20)18-10-11-21-16(18)14-4-2-3-5-15(14)17/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 353.90 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3131120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).