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

C14H16FN3O5S2 — CID 9189176

IUPAC2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C14H16FN3O5S2/c1-24(19,20)14-17-16-13(23-14)10-6-8-18(9-7-10)25(21,22)12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyPCJVEODTDRKJBX-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.18
Rot. Bonds4

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

2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole (PubChem CID 9189176) has the molecular formula C14H16FN3O5S2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole
PubChem CID9189176
Molecular FormulaC14H16FN3O5S2
Molecular Weight389.43 g/mol
Exact Mass389.05
IUPAC Name2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C14H16FN3O5S2/c1-24(19,20)14-17-16-13(23-14)10-6-8-18(9-7-10)25(21,22)12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyPCJVEODTDRKJBX-UHFFFAOYSA-N
XLogP1.18
TPSA110.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92570977
(2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 9189272
2-(4-fluorophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 121069600
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542573
2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 20867361
2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 9187917
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 121069649
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine
CID 95844720
4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 9189319
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole (CID 9189176) is 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole is CS(=O)(=O)c1nnc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
The InChIKey is PCJVEODTDRKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O5S2/c1-24(19,20)14-17-16-13(23-14)10-6-8-18(9-7-10)25(21,22)12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole has a molecular weight of 389.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole is sourced from PubChem (CID 9189176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).