5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one

C16H11F2NO2S — CID 13394285

IUPAC5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C(=O)c3ccc(F)cc3)cc(F)cc21
InChIInChI=1S/C16H11F2NO2S/c1-22-15-12-7-10(18)6-11(13(12)19-16(15)21)14(20)8-2-4-9(17)5-3-8/h2-7,15H,1H3,(H,19,21)
InChIKeyOBEVPLPEPNEXGT-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.55
Rot. Bonds3

About 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one

5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 13394285) has the molecular formula C16H11F2NO2S and a molecular weight of 319.33 g/mol. Its IUPAC name is 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID13394285
Molecular FormulaC16H11F2NO2S
Molecular Weight319.33 g/mol
Exact Mass319.05
IUPAC Name5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C(=O)c3ccc(F)cc3)cc(F)cc21
InChIInChI=1S/C16H11F2NO2S/c1-22-15-12-7-10(18)6-11(13(12)19-16(15)21)14(20)8-2-4-9(17)5-3-8/h2-7,15H,1H3,(H,19,21)
InChIKeyOBEVPLPEPNEXGT-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one (CID 13394285) is 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one is CSC1C(=O)Nc2c(C(=O)c3ccc(F)cc3)cc(F)cc21.
What is the InChIKey of 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is OBEVPLPEPNEXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2S/c1-22-15-12-7-10(18)6-11(13(12)19-16(15)21)14(20)8-2-4-9(17)5-3-8/h2-7,15H,1H3,(H,19,21).
What are the key properties of 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 319.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(4-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 13394285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).