(2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C16H11ClF3NO3S — CID 1269425

IUPAC(2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3NO3S/c17-12-6-4-10(5-7-12)15-21(14(22)9-25(15,23)24)13-3-1-2-11(8-13)16(18,19)20/h1-8,15H,9H2/t15-/m0/s1
InChIKeyGDPFADYCVQNYKN-HNNXBMFYSA-N
MW389.78 g/mol
LogP3.82
Rot. Bonds2

About (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

(2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 1269425) has the molecular formula C16H11ClF3NO3S and a molecular weight of 389.78 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID1269425
Molecular FormulaC16H11ClF3NO3S
Molecular Weight389.78 g/mol
Exact Mass389.01
IUPAC Name(2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3NO3S/c17-12-6-4-10(5-7-12)15-21(14(22)9-25(15,23)24)13-3-1-2-11(8-13)16(18,19)20/h1-8,15H,9H2/t15-/m0/s1
InChIKeyGDPFADYCVQNYKN-HNNXBMFYSA-N
XLogP3.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.78
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)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

Related Compounds

(2R)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 1269424
2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3865771
2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 3875714
6,6-dioxo-1-phenyl-4-[3-(trifluoromethyl)phenyl]-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 164663500
1-(3,4-dichlorophenyl)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 3677073
(4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 6008757
(3aR,6aS)-3-(2-chlorophenyl)-5,5-dioxo-1-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 1236419
(2S,6R,7R)-7-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 51375559
5,5-dioxo-1-phenyl-3-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 2941826
3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536951
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503651
4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 3734576

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 1269425) is (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is GDPFADYCVQNYKN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H11ClF3NO3S/c17-12-6-4-10(5-7-12)15-21(14(22)9-25(15,23)24)13-3-1-2-11(8-13)16(18,19)20/h1-8,15H,9H2/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
(2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 389.78 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1269425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).