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

C19H17BrFN5O4S — CID 134262087

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

1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (PubChem CID 134262087) has the molecular formula C19H17BrFN5O4S and a molecular weight of 510.35 g/mol. Its IUPAC name is 1-(4-bromo-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-bromo-5-fluoro-2-methoxyphenyl)-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
• PubChem CID: 134262087
• Molecular Formula: C19H17BrFN5O4S
• Molecular Weight: 510.35 g/mol
• Exact Mass: 509.02
• IUPAC Name: 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
• SMILES: COc1cc(Br)c(F)cc1-n1c2c(ccc1=O)CN(S(=O)(=O)Nc1cccnn1)CC2
• InChI: InChI=1S/C19H17BrFN5O4S/c1-30-17-9-13(20)14(21)10-16(17)26-15-6-8-25(11-12(15)4-5-19(26)27)31(28,29)24-18-3-2-7-22-23-18/h2-5,7,9-10H,6,8,11H2,1H3,(H,23,24)
• InChIKey: NDPMUQUQUQAEKV-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.35
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-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-bromo-5-fluoro-2-methoxyphenyl)-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (CID 134262087) is 1-(4-bromo-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-bromo-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-bromo-5-fluoro-2-methoxyphenyl)-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is COc1cc(Br)c(F)cc1-n1c2c(ccc1=O)CN(S(=O)(=O)Nc1cccnn1)CC2.

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

The InChIKey is NDPMUQUQUQAEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN5O4S/c1-30-17-9-13(20)14(21)10-16(17)26-15-6-8-25(11-12(15)4-5-19(26)27)31(28,29)24-18-3-2-7-22-23-18/h2-5,7,9-10H,6,8,11H2,1H3,(H,23,24).

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

1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide has a molecular weight of 510.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is sourced from PubChem (CID 134262087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).