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

C23H15ClF2N2O4S — CID 20927151

IUPAC1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)(=O)C2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1ccc(F)c(F)c1
InChIInChI=1S/C23H15ClF2N2O4S/c24-15-7-5-14(6-8-15)12-27-20-4-2-1-3-17(20)23(22(27)30)28(21(29)13-33(23,31)32)16-9-10-18(25)19(26)11-16/h1-11H,12-13H2
InChIKeyYAARQCGKWXVSHR-UHFFFAOYSA-N
MW488.90 g/mol
LogP3.78
Rot. Bonds3

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

1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 20927151) has the molecular formula C23H15ClF2N2O4S and a molecular weight of 488.90 g/mol. Its IUPAC name is 1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID20927151
Molecular FormulaC23H15ClF2N2O4S
Molecular Weight488.90 g/mol
Exact Mass488.04
IUPAC Name1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS(=O)(=O)C2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1ccc(F)c(F)c1
InChIInChI=1S/C23H15ClF2N2O4S/c24-15-7-5-14(6-8-15)12-27-20-4-2-1-3-17(20)23(22(27)30)28(21(29)13-33(23,31)32)16-9-10-18(25)19(26)11-16/h1-11H,12-13H2
InChIKeyYAARQCGKWXVSHR-UHFFFAOYSA-N
XLogP3.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.90
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927161
3-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927156
3-(3-chloro-4-methylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424205
(2S)-3-(3,4-difluorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 41434949
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
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
(2S)-3-(3-ethylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692568
(2S)-1'-benzyl-3-(4-bromophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692506
1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424744
(2S)-3-(3-ethylphenyl)-1'-[(4-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692526

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 20927151) is 1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS(=O)(=O)C2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1ccc(F)c(F)c1.
What is the InChIKey of 1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is YAARQCGKWXVSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2O4S/c24-15-7-5-14(6-8-15)12-27-20-4-2-1-3-17(20)23(22(27)30)28(21(29)13-33(23,31)32)16-9-10-18(25)19(26)11-16/h1-11H,12-13H2.
What are the key properties of 1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 488.90 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 20927151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).