7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile

C17H12FN3O2S — CID 166561941

IUPAC7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile
SMILES[H]N=S(C)(=O)c1ccc(Oc2c(C#N)cnc3cc(F)ccc23)cc1
InChIInChI=1S/C17H12FN3O2S/c1-24(20,22)14-5-3-13(4-6-14)23-17-11(9-19)10-21-16-8-12(18)2-7-15(16)17/h2-8,10,20H,1H3
InChIKeyMFOZOJFGRYZQMP-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.07
Rot. Bonds3

About 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile

7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile (PubChem CID 166561941) has the molecular formula C17H12FN3O2S and a molecular weight of 341.37 g/mol. Its IUPAC name is 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile
PubChem CID166561941
Molecular FormulaC17H12FN3O2S
Molecular Weight341.37 g/mol
Exact Mass341.06
IUPAC Name7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile
SMILES[H]N=S(C)(=O)c1ccc(Oc2c(C#N)cnc3cc(F)ccc23)cc1
InChIInChI=1S/C17H12FN3O2S/c1-24(20,22)14-5-3-13(4-6-14)23-17-11(9-19)10-21-16-8-12(18)2-7-15(16)17/h2-8,10,20H,1H3
InChIKeyMFOZOJFGRYZQMP-UHFFFAOYSA-N
XLogP4.07
TPSA86.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile?
The IUPAC name of 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile (CID 166561941) is 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile.
What is the SMILES notation for 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile?
The canonical SMILES for 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile is [H]N=S(C)(=O)c1ccc(Oc2c(C#N)cnc3cc(F)ccc23)cc1.
What is the InChIKey of 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile?
The InChIKey is MFOZOJFGRYZQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2S/c1-24(20,22)14-5-3-13(4-6-14)23-17-11(9-19)10-21-16-8-12(18)2-7-15(16)17/h2-8,10,20H,1H3.
What are the key properties of 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile?
7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile is sourced from PubChem (CID 166561941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).