4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide

C23H27N5O3S — CID 3680928

About 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide

4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 3680928) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide
• PubChem CID: 3680928
• Molecular Formula: C23H27N5O3S
• Molecular Weight: 453.57 g/mol
• Exact Mass: 453.18
• IUPAC Name: 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)cc1
• InChI: InChI=1S/C23H27N5O3S/c1-18-5-7-21(8-6-18)32(30,31)26-16-22(29)27-13-9-19(10-14-27)23-25-12-15-28(23)17-20-4-2-3-11-24-20/h2-8,11-12,15,19,26H,9-10,13-14,16-17H2,1H3
• InChIKey: PQAHSKNRMVZUAW-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.57
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide?

The IUPAC name of 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide (CID 3680928) is 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide.

What is the SMILES notation for 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide?

The canonical SMILES for 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)cc1.

What is the InChIKey of 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide?

The InChIKey is PQAHSKNRMVZUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-18-5-7-21(8-6-18)32(30,31)26-16-22(29)27-13-9-19(10-14-27)23-25-12-15-28(23)17-20-4-2-3-11-24-20/h2-8,11-12,15,19,26H,9-10,13-14,16-17H2,1H3.

What are the key properties of 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide?

4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 3680928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).