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

C21H21ClN4O6S2 — CID 43977858

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

1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 43977858) has the molecular formula C21H21ClN4O6S2 and a molecular weight of 525.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 43977858
• Molecular Formula: C21H21ClN4O6S2
• Molecular Weight: 525.01 g/mol
• Exact Mass: 524.06
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• SMILES: CS(=O)(=O)c1cccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)o2)c1
• InChI: InChI=1S/C21H21ClN4O6S2/c1-33(28,29)18-6-2-4-14(12-18)20-24-25-21(32-20)23-19(27)15-5-3-11-26(13-15)34(30,31)17-9-7-16(22)8-10-17/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,23,25,27)
• InChIKey: IPPZIMLDAXSCBR-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 139.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.01
LogP ≤ 5	2.83
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-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 43977858) is 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is CS(=O)(=O)c1cccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)o2)c1.

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

The InChIKey is IPPZIMLDAXSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O6S2/c1-33(28,29)18-6-2-4-14(12-18)20-24-25-21(32-20)23-19(27)15-5-3-11-26(13-15)34(30,31)17-9-7-16(22)8-10-17/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,23,25,27).

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

1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 525.01 g/mol, XLogP of 2.83, 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-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 43977858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).