1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide

C26H23ClFN5O5S — CID 134261929

About 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide

1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (PubChem CID 134261929) has the molecular formula C26H23ClFN5O5S and a molecular weight of 572.02 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
• PubChem CID: 134261929
• Molecular Formula: C26H23ClFN5O5S
• Molecular Weight: 572.02 g/mol
• Exact Mass: 571.11
• IUPAC Name: 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
• SMILES: COc1ccc(-c2cc(OC)c(-n3c4c(ccc3=O)CN(S(=O)(=O)Nc3cccnn3)CC4)cc2F)cc1Cl
• InChI: InChI=1S/C26H23ClFN5O5S/c1-37-23-7-5-16(12-19(23)27)18-13-24(38-2)22(14-20(18)28)33-21-9-11-32(15-17(21)6-8-26(33)34)39(35,36)31-25-4-3-10-29-30-25/h3-8,10,12-14H,9,11,15H2,1-2H3,(H,30,31)
• InChIKey: FVIMHGFOLKCQPS-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 115.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.02
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?

The IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (CID 134261929) is 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide.

What is the SMILES notation for 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?

The canonical SMILES for 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is COc1ccc(-c2cc(OC)c(-n3c4c(ccc3=O)CN(S(=O)(=O)Nc3cccnn3)CC4)cc2F)cc1Cl.

What is the InChIKey of 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?

The InChIKey is FVIMHGFOLKCQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O5S/c1-37-23-7-5-16(12-19(23)27)18-13-24(38-2)22(14-20(18)28)33-21-9-11-32(15-17(21)6-8-26(33)34)39(35,36)31-25-4-3-10-29-30-25/h3-8,10,12-14H,9,11,15H2,1-2H3,(H,30,31).

What are the key properties of 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?

1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide has a molecular weight of 572.02 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-chloro-4-methoxyphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is sourced from PubChem (CID 134261929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).