5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C19H17ClFN3O3S — CID 3225892

IUPAC5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H17ClFN3O3S/c20-15-5-9-17(10-6-15)28(25,26)24-11-1-2-14(12-24)19-22-18(23-27-19)13-3-7-16(21)8-4-13/h3-10,14H,1-2,11-12H2
InChIKeyWWEIYRXWIGLGFL-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.10
Rot. Bonds4

About 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 3225892) has the molecular formula C19H17ClFN3O3S and a molecular weight of 421.88 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID3225892
Molecular FormulaC19H17ClFN3O3S
Molecular Weight421.88 g/mol
Exact Mass421.07
IUPAC Name5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H17ClFN3O3S/c20-15-5-9-17(10-6-15)28(25,26)24-11-1-2-14(12-24)19-22-18(23-27-19)13-3-7-16(21)8-4-13/h3-10,14H,1-2,11-12H2
InChIKeyWWEIYRXWIGLGFL-UHFFFAOYSA-N
XLogP4.10
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 3225892) is 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is O=S(=O)(c1ccc(Cl)cc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is WWEIYRXWIGLGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3S/c20-15-5-9-17(10-6-15)28(25,26)24-11-1-2-14(12-24)19-22-18(23-27-19)13-3-7-16(21)8-4-13/h3-10,14H,1-2,11-12H2.
What are the key properties of 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 421.88 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3225892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).