2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide

C29H31Cl2N5O4S — CID 22064886

About 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide

2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide (PubChem CID 22064886) has the molecular formula C29H31Cl2N5O4S and a molecular weight of 616.57 g/mol. Its IUPAC name is 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide
• PubChem CID: 22064886
• Molecular Formula: C29H31Cl2N5O4S
• Molecular Weight: 616.57 g/mol
• Exact Mass: 615.15
• IUPAC Name: 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide
• SMILES: Cc1ccnc(N2CCC(CCNC(=O)CC3C(=O)Nc4ccccc4N3S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1
• InChI: InChI=1S/C29H31Cl2N5O4S/c1-19-9-13-32-26(17-19)35-15-11-20(12-16-35)10-14-33-27(37)18-24-29(38)34-22-6-2-3-7-23(22)36(24)41(39,40)25-8-4-5-21(30)28(25)31/h2-9,13,17,20,24H,10-12,14-16,18H2,1H3,(H,33,37)(H,34,38)
• InChIKey: FLSXHPQCAYNWGX-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.57
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide?

The IUPAC name of 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide (CID 22064886) is 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide.

What is the SMILES notation for 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide?

The canonical SMILES for 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide is Cc1ccnc(N2CCC(CCNC(=O)CC3C(=O)Nc4ccccc4N3S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1.

What is the InChIKey of 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide?

The InChIKey is FLSXHPQCAYNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2N5O4S/c1-19-9-13-32-26(17-19)35-15-11-20(12-16-35)10-14-33-27(37)18-24-29(38)34-22-6-2-3-7-23(22)36(24)41(39,40)25-8-4-5-21(30)28(25)31/h2-9,13,17,20,24H,10-12,14-16,18H2,1H3,(H,33,37)(H,34,38).

What are the key properties of 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide?

2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 616.57 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 22064886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).