2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine

C18H18F3NO4S2 — CID 3236242

IUPAC2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO4S2/c1-25-13-6-7-16(26-2)15(11-13)17-22(8-9-27-17)28(23,24)14-5-3-4-12(10-14)18(19,20)21/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyKSDJIBVCBHSLLZ-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.16
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine

2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine (PubChem CID 3236242) has the molecular formula C18H18F3NO4S2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
PubChem CID3236242
Molecular FormulaC18H18F3NO4S2
Molecular Weight433.47 g/mol
Exact Mass433.06
IUPAC Name2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO4S2/c1-25-13-6-7-16(26-2)15(11-13)17-22(8-9-27-17)28(23,24)14-5-3-4-12(10-14)18(19,20)21/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyKSDJIBVCBHSLLZ-UHFFFAOYSA-N
XLogP4.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine 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-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine (CID 3236242) is 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine is COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
The InChIKey is KSDJIBVCBHSLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4S2/c1-25-13-6-7-16(26-2)15(11-13)17-22(8-9-27-17)28(23,24)14-5-3-4-12(10-14)18(19,20)21/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine has a molecular weight of 433.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3236242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).