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

C16H15NO3S2 — CID 10359484

IUPAC2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S2/c1-22(19,20)14-9-7-12(8-10-14)16-17(15(18)11-21-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyRUZSSDOKRZZSMH-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.87
Rot. Bonds3

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

2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 10359484) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID10359484
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Name2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S2/c1-22(19,20)14-9-7-12(8-10-14)16-17(15(18)11-21-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyRUZSSDOKRZZSMH-UHFFFAOYSA-N
XLogP2.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one (CID 10359484) is 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one is CS(=O)(=O)c1ccc(C2SCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is RUZSSDOKRZZSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S2/c1-22(19,20)14-9-7-12(8-10-14)16-17(15(18)11-21-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 333.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10359484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).