3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole

C19H17F2N3O3S — CID 50835538

IUPAC3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H17F2N3O3S/c20-15-10-16(21)12-17(11-15)28(25,26)24-8-6-13(7-9-24)18-22-19(27-23-18)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2
InChIKeyHPIWUMAHFBPRIT-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.58
Rot. Bonds4

About 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole

3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 50835538) has the molecular formula C19H17F2N3O3S and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID50835538
Molecular FormulaC19H17F2N3O3S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H17F2N3O3S/c20-15-10-16(21)12-17(11-15)28(25,26)24-8-6-13(7-9-24)18-22-19(27-23-18)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2
InChIKeyHPIWUMAHFBPRIT-UHFFFAOYSA-N
XLogP3.58
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole (CID 50835538) is 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole is O=S(=O)(c1cc(F)cc(F)c1)N1CCC(c2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is HPIWUMAHFBPRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S/c20-15-10-16(21)12-17(11-15)28(25,26)24-8-6-13(7-9-24)18-22-19(27-23-18)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2.
What are the key properties of 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole?
3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 405.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50835538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).