1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

C18H17FN4O5S — CID 16861713

About 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 16861713) has the molecular formula C18H17FN4O5S and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 16861713
• Molecular Formula: C18H17FN4O5S
• Molecular Weight: 420.42 g/mol
• Exact Mass: 420.09
• IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• SMILES: O=C(Nc1nnc(-c2ccco2)o1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
• InChI: InChI=1S/C18H17FN4O5S/c19-13-5-7-14(8-6-13)29(25,26)23-9-1-3-12(11-23)16(24)20-18-22-21-17(28-18)15-4-2-10-27-15/h2,4-8,10,12H,1,3,9,11H2,(H,20,22,24)
• InChIKey: ACFALSOPVJUSEL-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 118.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.42
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 16861713) is 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.

What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The InChIKey is ACFALSOPVJUSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O5S/c19-13-5-7-14(8-6-13)29(25,26)23-9-1-3-12(11-23)16(24)20-18-22-21-17(28-18)15-4-2-10-27-15/h2,4-8,10,12H,1,3,9,11H2,(H,20,22,24).

What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)sulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 16861713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).