2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine

C18H12FNO3S — CID 135068195

IUPAC2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine
SMILESO=S(=O)(c1ccccn1)C(F)c1cccc2c1oc1ccccc12
InChIInChI=1S/C18H12FNO3S/c19-18(24(21,22)16-10-3-4-11-20-16)14-8-5-7-13-12-6-1-2-9-15(12)23-17(13)14/h1-11,18H
InChIKeyJIBZVFHWNHUGQA-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.42
Rot. Bonds3

About 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine

2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine (PubChem CID 135068195) has the molecular formula C18H12FNO3S and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine
PubChem CID135068195
Molecular FormulaC18H12FNO3S
Molecular Weight341.36 g/mol
Exact Mass341.05
IUPAC Name2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine
SMILESO=S(=O)(c1ccccn1)C(F)c1cccc2c1oc1ccccc12
InChIInChI=1S/C18H12FNO3S/c19-18(24(21,22)16-10-3-4-11-20-16)14-8-5-7-13-12-6-1-2-9-15(12)23-17(13)14/h1-11,18H
InChIKeyJIBZVFHWNHUGQA-UHFFFAOYSA-N
XLogP4.42
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Benzofuran-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2383047
(E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71465887
1-(4-((4-Fluorobenzyl)oxy)phenyl)-2-(2-pyridinylsulfanyl)ethanone
CID 573314
3-(1-Benzofuran-2-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
CID 2739573
6-Fluoro-2-(4-(methylsulfonyl)phenyl)-3-(3-pyridinyl)-4H-1-benzopyran-4-one
CID 9865453
2-(4-Methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
CID 10429664
4-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583654
2-[3-(Trifluoromethyl)phenyl]-4-methylsulfanylfuro[3,2-c]pyridine
CID 129734050
2-[3-(Trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine
CID 132608407
(E)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
CID 5703126
2-{[(4,5,6,7-Tetrafluoro-1-benzofuran-2-yl)methyl]thio}pyridinium-1-olate
CID 608932
7-Fluoro-3-(6-fluoro-3-pyridinyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324933

Frequently Asked Questions

What is the IUPAC name of 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine?
The IUPAC name of 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine (CID 135068195) is 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine.
What is the SMILES notation for 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine?
The canonical SMILES for 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine is O=S(=O)(c1ccccn1)C(F)c1cccc2c1oc1ccccc12.
What is the InChIKey of 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine?
The InChIKey is JIBZVFHWNHUGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO3S/c19-18(24(21,22)16-10-3-4-11-20-16)14-8-5-7-13-12-6-1-2-9-15(12)23-17(13)14/h1-11,18H.
What are the key properties of 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine?
2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine has a molecular weight of 341.36 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dibenzofuran-4-yl(fluoro)methyl]sulfonylpyridine is sourced from PubChem (CID 135068195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).