2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole

C17H15F2N3O4S — CID 90543491

IUPAC2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C17H15F2N3O4S/c18-13-2-1-3-14(19)15(13)27(23,24)22-7-4-11(5-8-22)16-20-21-17(26-16)12-6-9-25-10-12/h1-3,6,9-11H,4-5,7-8H2
InChIKeyULRNLEQZNWKBEH-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.18
Rot. Bonds4

About 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole

2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole (PubChem CID 90543491) has the molecular formula C17H15F2N3O4S and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
PubChem CID90543491
Molecular FormulaC17H15F2N3O4S
Molecular Weight395.39 g/mol
Exact Mass395.08
IUPAC Name2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C17H15F2N3O4S/c18-13-2-1-3-14(19)15(13)27(23,24)22-7-4-11(5-8-22)16-20-21-17(26-16)12-6-9-25-10-12/h1-3,6,9-11H,4-5,7-8H2
InChIKeyULRNLEQZNWKBEH-UHFFFAOYSA-N
XLogP3.18
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole (CID 90543491) is 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole is O=S(=O)(c1c(F)cccc1F)N1CCC(c2nnc(-c3ccoc3)o2)CC1.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole?
The InChIKey is ULRNLEQZNWKBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4S/c18-13-2-1-3-14(19)15(13)27(23,24)22-7-4-11(5-8-22)16-20-21-17(26-16)12-6-9-25-10-12/h1-3,6,9-11H,4-5,7-8H2.
What are the key properties of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole?
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole has a molecular weight of 395.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 90543491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).