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

C25H21F3N4O5S — CID 134261901

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

1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-N-(1,2-oxazol-3-yl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (PubChem CID 134261901) has the molecular formula C25H21F3N4O5S and a molecular weight of 546.53 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-N-(1,2-oxazol-3-yl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-N-(1,2-oxazol-3-yl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
• PubChem CID: 134261901
• Molecular Formula: C25H21F3N4O5S
• Molecular Weight: 546.53 g/mol
• Exact Mass: 546.12
• IUPAC Name: 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-N-(1,2-oxazol-3-yl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
• SMILES: COc1cc(-c2cc(F)cc(F)c2)c(F)cc1-n1c2c(ccc1=O)CN(S(=O)(=O)Nc1ccon1)C(C)C2
• InChI: InChI=1S/C25H21F3N4O5S/c1-14-7-21-15(13-31(14)38(34,35)30-24-5-6-37-29-24)3-4-25(33)32(21)22-12-20(28)19(11-23(22)36-2)16-8-17(26)10-18(27)9-16/h3-6,8-12,14H,7,13H2,1-2H3,(H,29,30)
• InChIKey: LWXHDONVPJDHJU-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 106.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.53
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-N-(1,2-oxazol-3-yl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (CID 134261901) is 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-N-(1,2-oxazol-3-yl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide.

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

The canonical SMILES for 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-N-(1,2-oxazol-3-yl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is COc1cc(-c2cc(F)cc(F)c2)c(F)cc1-n1c2c(ccc1=O)CN(S(=O)(=O)Nc1ccon1)C(C)C2.

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

The InChIKey is LWXHDONVPJDHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O5S/c1-14-7-21-15(13-31(14)38(34,35)30-24-5-6-37-29-24)3-4-25(33)32(21)22-12-20(28)19(11-23(22)36-2)16-8-17(26)10-18(27)9-16/h3-6,8-12,14H,7,13H2,1-2H3,(H,29,30).

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

1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-N-(1,2-oxazol-3-yl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide has a molecular weight of 546.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-N-(1,2-oxazol-3-yl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is sourced from PubChem (CID 134261901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).