3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine

C14H13FN2O2S — CID 71978636

IUPAC3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC1c1ccccc1F
InChIInChI=1S/C14H13FN2O2S/c15-13-6-2-1-5-12(13)14-7-9-17(14)20(18,19)11-4-3-8-16-10-11/h1-6,8,10,14H,7,9H2
InChIKeyMZWGVIPADUPIAE-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.36
Rot. Bonds3

About 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine

3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine (PubChem CID 71978636) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
PubChem CID71978636
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC1c1ccccc1F
InChIInChI=1S/C14H13FN2O2S/c15-13-6-2-1-5-12(13)14-7-9-17(14)20(18,19)11-4-3-8-16-10-11/h1-6,8,10,14H,7,9H2
InChIKeyMZWGVIPADUPIAE-UHFFFAOYSA-N
XLogP2.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
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2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
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4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 166213017
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine
CID 99847176
(3S,5S)-5-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrolidin-3-ol
CID 100664418
3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
CID 104937269
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
CID 95828932
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine (CID 71978636) is 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCC1c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine?
The InChIKey is MZWGVIPADUPIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-13-6-2-1-5-12(13)14-7-9-17(14)20(18,19)11-4-3-8-16-10-11/h1-6,8,10,14H,7,9H2.
What are the key properties of 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine?
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine has a molecular weight of 292.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 71978636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).