5-fluoro-3-phenacylsulfanylindol-2-one

C16H10FNO2S — CID 141475723

IUPAC5-fluoro-3-phenacylsulfanylindol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1SCC(=O)c1ccccc1
InChIInChI=1S/C16H10FNO2S/c17-11-6-7-13-12(8-11)15(16(20)18-13)21-9-14(19)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeySZVHVJZDXDKSSC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.71
Rot. Bonds4

About 5-fluoro-3-phenacylsulfanylindol-2-one

5-fluoro-3-phenacylsulfanylindol-2-one (PubChem CID 141475723) has the molecular formula C16H10FNO2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-fluoro-3-phenacylsulfanylindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-phenacylsulfanylindol-2-one
PubChem CID141475723
Molecular FormulaC16H10FNO2S
Molecular Weight299.33 g/mol
Exact Mass299.04
IUPAC Name5-fluoro-3-phenacylsulfanylindol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1SCC(=O)c1ccccc1
InChIInChI=1S/C16H10FNO2S/c17-11-6-7-13-12(8-11)15(16(20)18-13)21-9-14(19)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeySZVHVJZDXDKSSC-UHFFFAOYSA-N
XLogP1.71
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-phenacylsulfanylindol-2-one?
The IUPAC name of 5-fluoro-3-phenacylsulfanylindol-2-one (CID 141475723) is 5-fluoro-3-phenacylsulfanylindol-2-one.
What is the SMILES notation for 5-fluoro-3-phenacylsulfanylindol-2-one?
The canonical SMILES for 5-fluoro-3-phenacylsulfanylindol-2-one is O=C1N=c2ccc(F)cc2=C1SCC(=O)c1ccccc1.
What is the InChIKey of 5-fluoro-3-phenacylsulfanylindol-2-one?
The InChIKey is SZVHVJZDXDKSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2S/c17-11-6-7-13-12(8-11)15(16(20)18-13)21-9-14(19)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 5-fluoro-3-phenacylsulfanylindol-2-one?
5-fluoro-3-phenacylsulfanylindol-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-phenacylsulfanylindol-2-one is sourced from PubChem (CID 141475723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).