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

C21H21ClN4O5S — CID 16824109

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

1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16824109) has the molecular formula C21H21ClN4O5S and a molecular weight of 476.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 16824109
• Molecular Formula: C21H21ClN4O5S
• Molecular Weight: 476.94 g/mol
• Exact Mass: 476.09
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• SMILES: COc1cccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)o2)c1
• InChI: InChI=1S/C21H21ClN4O5S/c1-30-17-4-2-3-15(13-17)20-24-25-21(31-20)23-19(27)14-9-11-26(12-10-14)32(28,29)18-7-5-16(22)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,23,25,27)
• InChIKey: QDQXYRXASACUIU-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.94
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 16824109) is 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1cccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)o2)c1.

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

The InChIKey is QDQXYRXASACUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O5S/c1-30-17-4-2-3-15(13-17)20-24-25-21(31-20)23-19(27)14-9-11-26(12-10-14)32(28,29)18-7-5-16(22)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,23,25,27).

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

1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16824109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).