6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide

C24H31ClN4O4S — CID 20581375

About 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 20581375) has the molecular formula C24H31ClN4O4S and a molecular weight of 507.06 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
• PubChem CID: 20581375
• Molecular Formula: C24H31ClN4O4S
• Molecular Weight: 507.06 g/mol
• Exact Mass: 506.18
• IUPAC Name: 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
• SMILES: CC(C)N1CCN(C(=O)CN2CCCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)CC1
• InChI: InChI=1S/C24H31ClN4O4S/c1-17(2)27-10-12-28(13-11-27)23(30)16-29-9-3-4-22(24(29)31)26-34(32,33)21-8-6-18-14-20(25)7-5-19(18)15-21/h5-8,14-15,17,22,26H,3-4,9-13,16H2,1-2H3
• InChIKey: PYHOYSMQZUDLPT-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.06
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?

The IUPAC name of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (CID 20581375) is 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide.

What is the SMILES notation for 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?

The canonical SMILES for 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is CC(C)N1CCN(C(=O)CN2CCCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)CC1.

What is the InChIKey of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?

The InChIKey is PYHOYSMQZUDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O4S/c1-17(2)27-10-12-28(13-11-27)23(30)16-29-9-3-4-22(24(29)31)26-34(32,33)21-8-6-18-14-20(25)7-5-19(18)15-21/h5-8,14-15,17,22,26H,3-4,9-13,16H2,1-2H3.

What are the key properties of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?

6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 507.06 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 20581375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).