N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

C18H16BrClN4O5S — CID 43972779

About N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 43972779) has the molecular formula C18H16BrClN4O5S and a molecular weight of 515.77 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
• PubChem CID: 43972779
• Molecular Formula: C18H16BrClN4O5S
• Molecular Weight: 515.77 g/mol
• Exact Mass: 513.97
• IUPAC Name: N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
• SMILES: O=C(Nc1nnc(-c2ccc(Br)o2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C18H16BrClN4O5S/c19-15-6-5-14(28-15)17-22-23-18(29-17)21-16(25)11-7-9-24(10-8-11)30(26,27)13-3-1-12(20)2-4-13/h1-6,11H,7-10H2,(H,21,23,25)
• InChIKey: GTQLUDXHYKEOFX-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 118.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.77
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?

The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (CID 43972779) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?

The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1nnc(-c2ccc(Br)o2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.

What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?

The InChIKey is GTQLUDXHYKEOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN4O5S/c19-15-6-5-14(28-15)17-22-23-18(29-17)21-16(25)11-7-9-24(10-8-11)30(26,27)13-3-1-12(20)2-4-13/h1-6,11H,7-10H2,(H,21,23,25).

What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 515.77 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43972779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).