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

C17H15F2N3O3S2 — CID 121069531

IUPAC2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC(c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C17H15F2N3O3S2/c18-12-7-13(19)9-14(8-12)27(23,24)22-5-1-3-11(10-22)16-20-21-17(25-16)15-4-2-6-26-15/h2,4,6-9,11H,1,3,5,10H2
InChIKeyFVUOEXPXRAEMEZ-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.64
Rot. Bonds4

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

2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 121069531) has the molecular formula C17H15F2N3O3S2 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID121069531
Molecular FormulaC17H15F2N3O3S2
Molecular Weight411.46 g/mol
Exact Mass411.05
IUPAC Name2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC(c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C17H15F2N3O3S2/c18-12-7-13(19)9-14(8-12)27(23,24)22-5-1-3-11(10-22)16-20-21-17(25-16)15-4-2-6-26-15/h2,4,6-9,11H,1,3,5,10H2
InChIKeyFVUOEXPXRAEMEZ-UHFFFAOYSA-N
XLogP3.64
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559523
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110235552
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
(4-fluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93492617
(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110243077
(3R)-N-(4-fluorophenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 30863766
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235508
(3,4-difluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863585
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569
1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068791

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 121069531) is 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is O=S(=O)(c1cc(F)cc(F)c1)N1CCCC(c2nnc(-c3cccs3)o2)C1.
What is the InChIKey of 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is FVUOEXPXRAEMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S2/c18-12-7-13(19)9-14(8-12)27(23,24)22-5-1-3-11(10-22)16-20-21-17(25-16)15-4-2-6-26-15/h2,4,6-9,11H,1,3,5,10H2.
What are the key properties of 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 411.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 121069531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).