N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide

C89H97F3N20O26P4S8 — CID 159585610

About N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide

N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide (PubChem CID 159585610) has the molecular formula C89H97F3N20O26P4S8 and a molecular weight of 2300.29 g/mol. Its IUPAC name is N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide
• PubChem CID: 159585610
• Molecular Formula: C89H97F3N20O26P4S8
• Molecular Weight: 2300.29 g/mol
• Exact Mass: 2298.36
• IUPAC Name: N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide
• SMILES: CCC(C)CCn1nc(-c2cccs2)c(O)c(C2=NP(=O)(OC)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.COC(C)CCn1nc(-c2cccs2)c(O)c(C2=NP(=O)(OC)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.COP1(=O)N=C(c2c(O)c(-c3cccs3)nn(CCC(C)C(F)(F)F)c2=O)Nc2ccc(NS(C)(=O)=O)cc21.COP1(=O)N=C(c2c(O)c(-c3cccs3)nn(Cc3ccoc3)c2=O)Nc2ccc(NS(C)(=O)=O)cc21
• InChI: InChI=1S/C23H28N5O6PS2.C22H23F3N5O6PS2.C22H20N5O7PS2.C22H26N5O7PS2/c1-5-14(2)10-11-28-23(30)19(21(29)20(25-28)18-7-6-12-36-18)22-24-16-9-8-15(27-37(4,32)33)13-17(16)35(31,26-22)34-3;1-12(22(23,24)25)8-9-30-21(32)17(19(31)18(27-30)16-5-4-10-38-16)20-26-14-7-6-13(29-39(3,34)35)11-15(14)37(33,28-20)36-2;1-33-35(30)16-10-14(26-37(2,31)32)5-6-15(16)23-21(25-35)18-20(28)19(17-4-3-9-36-17)24-27(22(18)29)11-13-7-8-34-12-13;1-13(33-2)9-10-27-22(29)18(20(28)19(24-27)17-6-5-11-36-17)21-23-15-8-7-14(26-37(4,31)32)12-16(15)35(30,25-21)34-3/h6-9,12-14,27,29H,5,10-11H2,1-4H3,(H,24,26,31);4-7,10-12,29,31H,8-9H2,1-3H3,(H,26,28,33);3-10,12,26,28H,11H2,1-2H3,(H,23,25,30);5-8,11-13,26,28H,9-10H2,1-4H3,(H,23,25,30)
• InChIKey: MJONUNRTLDFLHI-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 630.29 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2300.29
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide?

The IUPAC name of N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide (CID 159585610) is N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide.

What is the SMILES notation for N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide?

The canonical SMILES for N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide is CCC(C)CCn1nc(-c2cccs2)c(O)c(C2=NP(=O)(OC)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.COC(C)CCn1nc(-c2cccs2)c(O)c(C2=NP(=O)(OC)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.COP1(=O)N=C(c2c(O)c(-c3cccs3)nn(CCC(C)C(F)(F)F)c2=O)Nc2ccc(NS(C)(=O)=O)cc21.COP1(=O)N=C(c2c(O)c(-c3cccs3)nn(Cc3ccoc3)c2=O)Nc2ccc(NS(C)(=O)=O)cc21.

What is the InChIKey of N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide?

The InChIKey is MJONUNRTLDFLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N5O6PS2.C22H23F3N5O6PS2.C22H20N5O7PS2.C22H26N5O7PS2/c1-5-14(2)10-11-28-23(30)19(21(29)20(25-28)18-7-6-12-36-18)22-24-16-9-8-15(27-37(4,32)33)13-17(16)35(31,26-22)34-3;1-12(22(23,24)25)8-9-30-21(32)17(19(31)18(27-30)16-5-4-10-38-16)20-26-14-7-6-13(29-39(3,34)35)11-15(14)37(33,28-20)36-2;1-33-35(30)16-10-14(26-37(2,31)32)5-6-15(16)23-21(25-35)18-20(28)19(17-4-3-9-36-17)24-27(22(18)29)11-13-7-8-34-12-13;1-13(33-2)9-10-27-22(29)18(20(28)19(24-27)17-6-5-11-36-17)21-23-15-8-7-14(26-37(4,31)32)12-16(15)35(30,25-21)34-3/h6-9,12-14,27,29H,5,10-11H2,1-4H3,(H,24,26,31);4-7,10-12,29,31H,8-9H2,1-3H3,(H,26,28,33);3-10,12,26,28H,11H2,1-2H3,(H,23,25,30);5-8,11-13,26,28H,9-10H2,1-4H3,(H,23,25,30).

What are the key properties of N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide?

N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide has a molecular weight of 2300.29 g/mol, XLogP of 13.64, 33 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(furan-3-ylmethyl)-5-hydroxy-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methoxybutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-2-(3-methylpentyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide;N-[3-[5-hydroxy-3-oxo-6-thiophen-2-yl-2-(4,4,4-trifluoro-3-methylbutyl)pyridazin-4-yl]-1-methoxy-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-7-yl]methanesulfonamide is sourced from PubChem (CID 159585610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).