[2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

C26H23ClN6O5S — CID 25039796

About [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

[2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate (PubChem CID 25039796) has the molecular formula C26H23ClN6O5S and a molecular weight of 567.03 g/mol. Its IUPAC name is [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate.

Molecular Properties

• Compound Name: [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
• PubChem CID: 25039796
• Molecular Formula: C26H23ClN6O5S
• Molecular Weight: 567.03 g/mol
• Exact Mass: 566.11
• IUPAC Name: [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
• SMILES: CN1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c2C1
• InChI: InChI=1S/C26H23ClN6O5S/c1-33-13-12-21-19(14-33)25(18-4-2-3-5-20(18)29-21)26(35)38-15-24(34)28-16-6-8-17(9-7-16)39(36,37)32-23-11-10-22(27)30-31-23/h2-11H,12-15H2,1H3,(H,28,34)(H,31,32)
• InChIKey: PZKMTNDKKTZFSL-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 143.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.03
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?

The IUPAC name of [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate (CID 25039796) is [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate.

What is the SMILES notation for [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?

The canonical SMILES for [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate is CN1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c2C1.

What is the InChIKey of [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?

The InChIKey is PZKMTNDKKTZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O5S/c1-33-13-12-21-19(14-33)25(18-4-2-3-5-20(18)29-21)26(35)38-15-24(34)28-16-6-8-17(9-7-16)39(36,37)32-23-11-10-22(27)30-31-23/h2-11H,12-15H2,1H3,(H,28,34)(H,31,32).

What are the key properties of [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?

[2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate has a molecular weight of 567.03 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate is sourced from PubChem (CID 25039796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).