2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

C19H17ClFN3O3S — CID 53009754

IUPAC2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(-c2nnc(-c3ccc(F)cc3)o2)ccc1Cl)N1CCCCC1
InChIInChI=1S/C19H17ClFN3O3S/c20-16-9-6-14(12-17(16)28(25,26)24-10-2-1-3-11-24)19-23-22-18(27-19)13-4-7-15(21)8-5-13/h4-9,12H,1-3,10-11H2
InChIKeyULOYHUOAUQSBGH-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.37
Rot. Bonds4

About 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 53009754) has the molecular formula C19H17ClFN3O3S and a molecular weight of 421.88 g/mol. Its IUPAC name is 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID53009754
Molecular FormulaC19H17ClFN3O3S
Molecular Weight421.88 g/mol
Exact Mass421.07
IUPAC Name2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(-c2nnc(-c3ccc(F)cc3)o2)ccc1Cl)N1CCCCC1
InChIInChI=1S/C19H17ClFN3O3S/c20-16-9-6-14(12-17(16)28(25,26)24-10-2-1-3-11-24)19-23-22-18(27-19)13-4-7-15(21)8-5-13/h4-9,12H,1-3,10-11H2
InChIKeyULOYHUOAUQSBGH-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 53009754) is 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole is O=S(=O)(c1cc(-c2nnc(-c3ccc(F)cc3)o2)ccc1Cl)N1CCCCC1.
What is the InChIKey of 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is ULOYHUOAUQSBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3S/c20-16-9-6-14(12-17(16)28(25,26)24-10-2-1-3-11-24)19-23-22-18(27-19)13-4-7-15(21)8-5-13/h4-9,12H,1-3,10-11H2.
What are the key properties of 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 421.88 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53009754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).