2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid

C24H23ClN2O6S — CID 67413426

About 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid

2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid (PubChem CID 67413426) has the molecular formula C24H23ClN2O6S and a molecular weight of 502.98 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
• PubChem CID: 67413426
• Molecular Formula: C24H23ClN2O6S
• Molecular Weight: 502.98 g/mol
• Exact Mass: 502.10
• IUPAC Name: 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
• SMILES: CS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)O)C(c4ccccc4Cl)C3)cc2=O)cc1
• InChI: InChI=1S/C24H23ClN2O6S/c1-34(31,32)19-8-6-16(7-9-19)26-12-10-18(15-23(26)28)33-17-11-13-27(24(29)30)22(14-17)20-4-2-3-5-21(20)25/h2-10,12,15,17,22H,11,13-14H2,1H3,(H,29,30)
• InChIKey: MHRBQJDBQHPZHH-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 105.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.98
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid?

The IUPAC name of 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid (CID 67413426) is 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid.

What is the SMILES notation for 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid?

The canonical SMILES for 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid is CS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)O)C(c4ccccc4Cl)C3)cc2=O)cc1.

What is the InChIKey of 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid?

The InChIKey is MHRBQJDBQHPZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O6S/c1-34(31,32)19-8-6-16(7-9-19)26-12-10-18(15-23(26)28)33-17-11-13-27(24(29)30)22(14-17)20-4-2-3-5-21(20)25/h2-10,12,15,17,22H,11,13-14H2,1H3,(H,29,30).

What are the key properties of 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid?

2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 502.98 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 67413426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).