2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide

C18H19Cl2N3O5S — CID 118624405

About 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide

2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide (PubChem CID 118624405) has the molecular formula C18H19Cl2N3O5S and a molecular weight of 460.34 g/mol. Its IUPAC name is 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
• PubChem CID: 118624405
• Molecular Formula: C18H19Cl2N3O5S
• Molecular Weight: 460.34 g/mol
• Exact Mass: 459.04
• IUPAC Name: 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
• SMILES: CC(C)N1CCn2c(CNS(=O)(=O)c3c(Cl)cccc3Cl)cc(=O)c(O)c2C1=O
• InChI: InChI=1S/C18H19Cl2N3O5S/c1-10(2)22-6-7-23-11(8-14(24)16(25)15(23)18(22)26)9-21-29(27,28)17-12(19)4-3-5-13(17)20/h3-5,8,10,21,25H,6-7,9H2,1-2H3
• InChIKey: CEABQEZIAJDRCG-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 108.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.34
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?

The IUPAC name of 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide (CID 118624405) is 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide.

What is the SMILES notation for 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?

The canonical SMILES for 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide is CC(C)N1CCn2c(CNS(=O)(=O)c3c(Cl)cccc3Cl)cc(=O)c(O)c2C1=O.

What is the InChIKey of 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?

The InChIKey is CEABQEZIAJDRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O5S/c1-10(2)22-6-7-23-11(8-14(24)16(25)15(23)18(22)26)9-21-29(27,28)17-12(19)4-3-5-13(17)20/h3-5,8,10,21,25H,6-7,9H2,1-2H3.

What are the key properties of 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?

2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide has a molecular weight of 460.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 118624405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).