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

C23H16ClFN2O4S — CID 20927161

IUPAC3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)(=O)C2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1c1cccc(Cl)c1
InChIInChI=1S/C23H16ClFN2O4S/c24-16-4-3-5-18(12-16)27-21(28)14-32(30,31)23(27)19-6-1-2-7-20(19)26(22(23)29)13-15-8-10-17(25)11-9-15/h1-12H,13-14H2
InChIKeyFBFMTJJDTCRFKK-UHFFFAOYSA-N
MW470.91 g/mol
LogP3.64
Rot. Bonds3

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

3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 20927161) has the molecular formula C23H16ClFN2O4S and a molecular weight of 470.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID20927161
Molecular FormulaC23H16ClFN2O4S
Molecular Weight470.91 g/mol
Exact Mass470.05
IUPAC Name3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)(=O)C2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1c1cccc(Cl)c1
InChIInChI=1S/C23H16ClFN2O4S/c24-16-4-3-5-18(12-16)27-21(28)14-32(30,31)23(27)19-6-1-2-7-20(19)26(22(23)29)13-15-8-10-17(25)11-9-15/h1-12H,13-14H2
InChIKeyFBFMTJJDTCRFKK-UHFFFAOYSA-N
XLogP3.64
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927156
(2S)-3-(3-ethylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692568
1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927151
3-(3-chloro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424205
1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424744
1'-[(3-chlorophenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592175
3-(3-chloro-4-methoxyphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927158
(2S)-3-(3-chlorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 41434943
(2S)-3-(3-ethylphenyl)-1'-[(4-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692526
(2S)-1'-[(3-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692594
3-(3-fluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927192
3-(3-chloro-4-fluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 18592111

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 20927161) is 3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS(=O)(=O)C2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is FBFMTJJDTCRFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O4S/c24-16-4-3-5-18(12-16)27-21(28)14-32(30,31)23(27)19-6-1-2-7-20(19)26(22(23)29)13-15-8-10-17(25)11-9-15/h1-12H,13-14H2.
What are the key properties of 3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 470.91 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 20927161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).