1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C23H21ClN4O6S — CID 40956969

About 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 40956969) has the molecular formula C23H21ClN4O6S and a molecular weight of 516.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 40956969
• Molecular Formula: C23H21ClN4O6S
• Molecular Weight: 516.96 g/mol
• Exact Mass: 516.09
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• SMILES: COc1cccc2cc(-c3nnc(NC(=O)C4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)o3)oc12
• InChI: InChI=1S/C23H21ClN4O6S/c1-32-18-4-2-3-15-13-19(33-20(15)18)22-26-27-23(34-22)25-21(29)14-9-11-28(12-10-14)35(30,31)17-7-5-16(24)6-8-17/h2-8,13-14H,9-12H2,1H3,(H,25,27,29)
• InChIKey: MTABLYLBGPAQBW-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 127.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.96
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 40956969) is 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1cccc2cc(-c3nnc(NC(=O)C4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)o3)oc12.

What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is MTABLYLBGPAQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O6S/c1-32-18-4-2-3-15-13-19(33-20(15)18)22-26-27-23(34-22)25-21(29)14-9-11-28(12-10-14)35(30,31)17-7-5-16(24)6-8-17/h2-8,13-14H,9-12H2,1H3,(H,25,27,29).

What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 516.96 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 40956969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).