3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C24H14F6N2O4S — CID 54590736

IUPAC3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)C2(C(=O)N(Cc3ccc(F)cc3)c3ccc(OC(F)(F)F)cc32)N1c1ccc(F)c(F)c1
InChIInChI=1S/C24H14F6N2O4S/c25-14-3-1-13(2-4-14)11-31-20-8-6-16(36-24(28,29)30)10-17(20)23(22(31)34)32(21(33)12-37(23)35)15-5-7-18(26)19(27)9-15/h1-10H,11-12H2
InChIKeyCHGGPWCJQFTMOS-UHFFFAOYSA-N
MW540.44 g/mol
LogP4.50
Rot. Bonds4

About 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 54590736) has the molecular formula C24H14F6N2O4S and a molecular weight of 540.44 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID54590736
Molecular FormulaC24H14F6N2O4S
Molecular Weight540.44 g/mol
Exact Mass540.06
IUPAC Name3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)C2(C(=O)N(Cc3ccc(F)cc3)c3ccc(OC(F)(F)F)cc32)N1c1ccc(F)c(F)c1
InChIInChI=1S/C24H14F6N2O4S/c25-14-3-1-13(2-4-14)11-31-20-8-6-16(36-24(28,29)30)10-17(20)23(22(31)34)32(21(33)12-37(23)35)15-5-7-18(26)19(27)9-15/h1-10H,11-12H2
InChIKeyCHGGPWCJQFTMOS-UHFFFAOYSA-N
XLogP4.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-5'-nitro-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 54590024
3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 54590200
3-(3-chloro-4-fluorophenyl)-1'-[(4-chlorophenyl)methyl]-5'-nitro-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 54590643
1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927151
(3S)-3-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 1262979
(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 139255434
tert-butyl (2R,4S)-1'-benzyl-4-hydroxy-2'-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxylate
CID 138971357
3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927161
N-(4-fluorophenyl)-5'-methoxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016547
3-(3-chloro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424205
3-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927156
3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3749516

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 54590736) is 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS(=O)C2(C(=O)N(Cc3ccc(F)cc3)c3ccc(OC(F)(F)F)cc32)N1c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is CHGGPWCJQFTMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N2O4S/c25-14-3-1-13(2-4-14)11-31-20-8-6-16(36-24(28,29)30)10-17(20)23(22(31)34)32(21(33)12-37(23)35)15-5-7-18(26)19(27)9-15/h1-10H,11-12H2.
What are the key properties of 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 540.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 54590736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).