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

C14H12F5N3O3S — CID 90542557

IUPAC2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H12F5N3O3S/c15-9-1-2-10(16)11(7-9)26(23,24)22-5-3-8(4-6-22)12-20-21-13(25-12)14(17,18)19/h1-2,7-8H,3-6H2
InChIKeyKXSUGMBBPOIQHL-UHFFFAOYSA-N
MW397.33 g/mol
LogP2.93
Rot. Bonds3

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

2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 90542557) has the molecular formula C14H12F5N3O3S and a molecular weight of 397.33 g/mol. Its IUPAC name is 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID90542557
Molecular FormulaC14H12F5N3O3S
Molecular Weight397.33 g/mol
Exact Mass397.05
IUPAC Name2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H12F5N3O3S/c15-9-1-2-10(16)11(7-9)26(23,24)22-5-3-8(4-6-22)12-20-21-13(25-12)14(17,18)19/h1-2,7-8H,3-6H2
InChIKeyKXSUGMBBPOIQHL-UHFFFAOYSA-N
XLogP2.93
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542567
2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542560
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542573
5-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 171692030
(2,4-dichlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539863
(4-piperidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539917
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
(4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539918
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 9189176
5-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 121117361
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 90542557) is 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is O=S(=O)(c1cc(F)ccc1F)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is KXSUGMBBPOIQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5N3O3S/c15-9-1-2-10(16)11(7-9)26(23,24)22-5-3-8(4-6-22)12-20-21-13(25-12)14(17,18)19/h1-2,7-8H,3-6H2.
What are the key properties of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 397.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 90542557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).