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

C14H13F4N3O3S — CID 90542573

IUPAC2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C14H13F4N3O3S/c15-10-3-5-11(6-4-10)25(22,23)21-7-1-2-9(8-21)12-19-20-13(24-12)14(16,17)18/h3-6,9H,1-2,7-8H2
InChIKeyJSVYVGNWRAOUGJ-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.80
Rot. Bonds3

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

2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 90542573) has the molecular formula C14H13F4N3O3S and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID90542573
Molecular FormulaC14H13F4N3O3S
Molecular Weight379.34 g/mol
Exact Mass379.06
IUPAC Name2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C14H13F4N3O3S/c15-10-3-5-11(6-4-10)25(22,23)21-7-1-2-9(8-21)12-19-20-13(24-12)14(16,17)18/h3-6,9H,1-2,7-8H2
InChIKeyJSVYVGNWRAOUGJ-UHFFFAOYSA-N
XLogP2.80
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 71793689
2-(4-fluorophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 121069600
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 121069649
(4-piperidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539917
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 99963520
2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 71960599
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542557
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 121069644
(2,6-difluorophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540125
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
(4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539918
1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850233

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 90542573) is 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is O=S(=O)(c1ccc(F)cc1)N1CCCC(c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is JSVYVGNWRAOUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O3S/c15-10-3-5-11(6-4-10)25(22,23)21-7-1-2-9(8-21)12-19-20-13(24-12)14(16,17)18/h3-6,9H,1-2,7-8H2.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 379.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 90542573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).