N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide

C26H23FN4O6S2 — CID 135949444

About N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide

N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide (PubChem CID 135949444) has the molecular formula C26H23FN4O6S2 and a molecular weight of 570.62 g/mol. Its IUPAC name is N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
• PubChem CID: 135949444
• Molecular Formula: C26H23FN4O6S2
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.10
• IUPAC Name: N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)CC(c3ccccc3)N(Cc3ccc(F)cc3)C1=O)N2
• InChI: InChI=1S/C26H23FN4O6S2/c1-38(34,35)29-19-11-12-20-23(13-19)39(36,37)30-25(28-20)24-22(32)14-21(17-5-3-2-4-6-17)31(26(24)33)15-16-7-9-18(27)10-8-16/h2-13,21,29,32H,14-15H2,1H3,(H,28,30)
• InChIKey: UNYFDZIVRUSSDO-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 145.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide?

The IUPAC name of N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide (CID 135949444) is N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide.

What is the SMILES notation for N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide?

The canonical SMILES for N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)CC(c3ccccc3)N(Cc3ccc(F)cc3)C1=O)N2.

What is the InChIKey of N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide?

The InChIKey is UNYFDZIVRUSSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O6S2/c1-38(34,35)29-19-11-12-20-23(13-19)39(36,37)30-25(28-20)24-22(32)14-21(17-5-3-2-4-6-17)31(26(24)33)15-16-7-9-18(27)10-8-16/h2-13,21,29,32H,14-15H2,1H3,(H,28,30).

What are the key properties of N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide?

N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide has a molecular weight of 570.62 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-phenyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide is sourced from PubChem (CID 135949444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).