3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one

C17H17NO3S2 — CID 3868155

IUPAC3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO3S2/c1-23(20,21)15-9-7-14(8-10-15)17-18(16(19)12-22-17)11-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3
InChIKeyTZHVQEQCPJGUKQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.86
Rot. Bonds4

About 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one

3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3868155) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
PubChem CID3868155
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC Name3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO3S2/c1-23(20,21)15-9-7-14(8-10-15)17-18(16(19)12-22-17)11-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3
InChIKeyTZHVQEQCPJGUKQ-UHFFFAOYSA-N
XLogP2.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one (CID 3868155) is 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one is CS(=O)(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is TZHVQEQCPJGUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-23(20,21)15-9-7-14(8-10-15)17-18(16(19)12-22-17)11-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3.
What are the key properties of 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 347.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3868155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).