6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide

C26H27ClN4O4S — CID 20581407

About 6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 20581407) has the molecular formula C26H27ClN4O4S and a molecular weight of 527.05 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
• PubChem CID: 20581407
• Molecular Formula: C26H27ClN4O4S
• Molecular Weight: 527.05 g/mol
• Exact Mass: 526.14
• IUPAC Name: 6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
• SMILES: O=C(CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCC(c2ccccn2)C1
• InChI: InChI=1S/C26H27ClN4O4S/c27-21-8-6-19-15-22(9-7-18(19)14-21)36(34,35)29-24-5-3-12-31(26(24)33)17-25(32)30-13-10-20(16-30)23-4-1-2-11-28-23/h1-2,4,6-9,11,14-15,20,24,29H,3,5,10,12-13,16-17H2
• InChIKey: QZIZOURBIGDFSB-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 99.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.05
LogP ≤ 5	3.17
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-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?

The IUPAC name of 6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (CID 20581407) is 6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide.

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

The canonical SMILES for 6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is O=C(CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCC(c2ccccn2)C1.

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

The InChIKey is QZIZOURBIGDFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O4S/c27-21-8-6-19-15-22(9-7-18(19)14-21)36(34,35)29-24-5-3-12-31(26(24)33)17-25(32)30-13-10-20(16-30)23-4-1-2-11-28-23/h1-2,4,6-9,11,14-15,20,24,29H,3,5,10,12-13,16-17H2.

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

6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 527.05 g/mol, XLogP of 3.17, 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-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 20581407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).