1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C24H16ClF3N2O4S — CID 22424744

About 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 22424744) has the molecular formula C24H16ClF3N2O4S and a molecular weight of 520.92 g/mol. Its IUPAC name is 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

• Compound Name: 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
• PubChem CID: 22424744
• Molecular Formula: C24H16ClF3N2O4S
• Molecular Weight: 520.92 g/mol
• Exact Mass: 520.05
• IUPAC Name: 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
• SMILES: O=C1CS(=O)(=O)C2(C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)N1c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H16ClF3N2O4S/c25-17-7-3-5-15(11-17)13-29-20-10-2-1-9-19(20)23(22(29)32)30(21(31)14-35(23,33)34)18-8-4-6-16(12-18)24(26,27)28/h1-12H,13-14H2
• InChIKey: GZSXUBQVAYVWEK-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 74.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.92
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The IUPAC name of 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 22424744) is 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

What is the SMILES notation for 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The canonical SMILES for 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS(=O)(=O)C2(C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)N1c1cccc(C(F)(F)F)c1.

What is the InChIKey of 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The InChIKey is GZSXUBQVAYVWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2O4S/c25-17-7-3-5-15(11-17)13-29-20-10-2-1-9-19(20)23(22(29)32)30(21(31)14-35(23,33)34)18-8-4-6-16(12-18)24(26,27)28/h1-12H,13-14H2.

What are the key properties of 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 520.92 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 22424744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).