3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C23H15F3N2O3S — CID 54590200

IUPAC3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)C2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccc(F)c(F)c1
InChIInChI=1S/C23H15F3N2O3S/c24-17-7-3-1-5-14(17)12-27-20-8-4-2-6-16(20)23(22(27)30)28(21(29)13-32(23)31)15-9-10-18(25)19(26)11-15/h1-11H,12-13H2
InChIKeySPEXDLUXWNRCTP-UHFFFAOYSA-N
MW456.45 g/mol
LogP3.60
Rot. Bonds3

About 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 54590200) has the molecular formula C23H15F3N2O3S and a molecular weight of 456.45 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID54590200
Molecular FormulaC23H15F3N2O3S
Molecular Weight456.45 g/mol
Exact Mass456.08
IUPAC Name3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)C2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccc(F)c(F)c1
InChIInChI=1S/C23H15F3N2O3S/c24-17-7-3-1-5-14(17)12-27-20-8-4-2-6-16(20)23(22(27)30)28(21(29)13-32(23)31)15-9-10-18(25)19(26)11-15/h1-11H,12-13H2
InChIKeySPEXDLUXWNRCTP-UHFFFAOYSA-N
XLogP3.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 54590736
(2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 41434949
3-(3-chloro-4-fluorophenyl)-1'-[(4-chlorophenyl)methyl]-5'-nitro-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 54590643
3-(3-chloro-4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-5'-nitro-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 54590024
1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927151
3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 91962328
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-[(2-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 42558789
1'-[(2-chlorophenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 16956603
3-(3-chloro-4-fluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592111
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960
(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93185978
3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922099

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 54590200) is 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS(=O)C2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is SPEXDLUXWNRCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O3S/c24-17-7-3-1-5-14(17)12-27-20-8-4-2-6-16(20)23(22(27)30)28(21(29)13-32(23)31)15-9-10-18(25)19(26)11-15/h1-11H,12-13H2.
What are the key properties of 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 456.45 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1'-[(2-fluorophenyl)methyl]-1-oxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 54590200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).