5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C17H15F3N2O4S — CID 24956456

IUPAC5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2ccc(CCc3ccc(C(F)(F)F)cc3)cc2O)S(=O)(=O)N1
InChIInChI=1S/C17H15F3N2O4S/c18-17(19,20)13-6-3-11(4-7-13)1-2-12-5-8-14(15(23)9-12)22-10-16(24)21-27(22,25)26/h3-9,23H,1-2,10H2,(H,21,24)
InChIKeyXZKBSYXHUPZAEO-UHFFFAOYSA-N
MW400.38 g/mol
LogP2.38
Rot. Bonds4

About 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 24956456) has the molecular formula C17H15F3N2O4S and a molecular weight of 400.38 g/mol. Its IUPAC name is 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID24956456
Molecular FormulaC17H15F3N2O4S
Molecular Weight400.38 g/mol
Exact Mass400.07
IUPAC Name5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2ccc(CCc3ccc(C(F)(F)F)cc3)cc2O)S(=O)(=O)N1
InChIInChI=1S/C17H15F3N2O4S/c18-17(19,20)13-6-3-11(4-7-13)1-2-12-5-8-14(15(23)9-12)22-10-16(24)21-27(22,25)26/h3-9,23H,1-2,10H2,(H,21,24)
InChIKeyXZKBSYXHUPZAEO-UHFFFAOYSA-N
XLogP2.38
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-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 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 24956456) is 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2ccc(CCc3ccc(C(F)(F)F)cc3)cc2O)S(=O)(=O)N1.
What is the InChIKey of 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is XZKBSYXHUPZAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4S/c18-17(19,20)13-6-3-11(4-7-13)1-2-12-5-8-14(15(23)9-12)22-10-16(24)21-27(22,25)26/h3-9,23H,1-2,10H2,(H,21,24).
What are the key properties of 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 400.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 24956456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).