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

C16H12FNO2S — CID 13394283

IUPAC7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C(=O)c3ccccc3F)cccc21
InChIInChI=1S/C16H12FNO2S/c1-21-15-11-7-4-6-10(13(11)18-16(15)20)14(19)9-5-2-3-8-12(9)17/h2-8,15H,1H3,(H,18,20)
InChIKeyXQYMXFREJOWXPO-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.41
Rot. Bonds3

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

7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 13394283) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID13394283
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C(=O)c3ccccc3F)cccc21
InChIInChI=1S/C16H12FNO2S/c1-21-15-11-7-4-6-10(13(11)18-16(15)20)14(19)9-5-2-3-8-12(9)17/h2-8,15H,1H3,(H,18,20)
InChIKeyXQYMXFREJOWXPO-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methylisatin
CID 14313
5-Phenylisatin
CID 14810157
7-Trifluoromethylisatin
CID 604575
7-Fluoroisatin
CID 586418
(E)-5-(3-Fluorostyryl)isatin
CID 44575104
(3E)-3-phenacylidene-1H-indol-2-one
CID 682361
7-ethyl-2,3-dihydro-1H-indole-2,3-dione
CID 247365
5-ethyl-2,3-dihydro-1H-indole-2,3-dione
CID 583487
(E)-5-Styrylisatin
CID 42628986
5-(2-Phenylethyl)Isatin
CID 53319928
5-(4-Phenylbutyl)Isatin
CID 50994176
(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one
CID 682363

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one (CID 13394283) is 7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one is CSC1C(=O)Nc2c(C(=O)c3ccccc3F)cccc21.
What is the InChIKey of 7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is XQYMXFREJOWXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-21-15-11-7-4-6-10(13(11)18-16(15)20)14(19)9-5-2-3-8-12(9)17/h2-8,15H,1H3,(H,18,20).
What are the key properties of 7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one?
7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 301.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 13394283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).