2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide

C64H89I2N17O21S5 — CID 158945217

About 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide

2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide (PubChem CID 158945217) has the molecular formula C64H89I2N17O21S5 and a molecular weight of 1846.66 g/mol. Its IUPAC name is 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide.

Molecular Properties

• Compound Name: 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide
• PubChem CID: 158945217
• Molecular Formula: C64H89I2N17O21S5
• Molecular Weight: 1846.66 g/mol
• Exact Mass: 1845.31
• IUPAC Name: 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide
• SMILES: CC(C)CCn1nc(N2CCOCC2)c(O)c(C2=NS(=O)(=O)c3cc(I)ccc3N2)c1=O.CC(C)CCn1nc(N2CCOCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CCOC(=O)c1c(O)c(N2CCOCC2)nn(CCC(C)C)c1=O.CS(N)(=O)=O.Nc1ccc(I)cc1S(N)(=O)=O
• InChI: InChI=1S/C21H28N6O7S2.C20H24IN5O5S.C16H25N3O5.C6H7IN2O2S.CH5NO2S/c1-13(2)6-7-27-21(29)17(18(28)20(23-27)26-8-10-34-11-9-26)19-22-15-5-4-14(24-35(3,30)31)12-16(15)36(32,33)25-19;1-12(2)5-6-26-20(28)16(17(27)19(23-26)25-7-9-31-10-8-25)18-22-14-4-3-13(21)11-15(14)32(29,30)24-18;1-4-24-16(22)12-13(20)14(18-7-9-23-10-8-18)17-19(15(12)21)6-5-11(2)3;7-4-1-2-5(8)6(3-4)12(9,10)11;1-5(2,3)4/h4-5,12-13,24,28H,6-11H2,1-3H3,(H,22,25);3-4,11-12,27H,5-10H2,1-2H3,(H,22,24);11,20H,4-10H2,1-3H3;1-3H,8H2,(H2,9,10,11);1H3,(H2,2,3,4)
• InChIKey: JKSVIKHZXYANAM-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 538.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1846.66
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide?

The IUPAC name of 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide (CID 158945217) is 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide.

What is the SMILES notation for 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide?

The canonical SMILES for 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide is CC(C)CCn1nc(N2CCOCC2)c(O)c(C2=NS(=O)(=O)c3cc(I)ccc3N2)c1=O.CC(C)CCn1nc(N2CCOCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O.CCOC(=O)c1c(O)c(N2CCOCC2)nn(CCC(C)C)c1=O.CS(N)(=O)=O.Nc1ccc(I)cc1S(N)(=O)=O.

What is the InChIKey of 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide?

The InChIKey is JKSVIKHZXYANAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O7S2.C20H24IN5O5S.C16H25N3O5.C6H7IN2O2S.CH5NO2S/c1-13(2)6-7-27-21(29)17(18(28)20(23-27)26-8-10-34-11-9-26)19-22-15-5-4-14(24-35(3,30)31)12-16(15)36(32,33)25-19;1-12(2)5-6-26-20(28)16(17(27)19(23-26)25-7-9-31-10-8-25)18-22-14-4-3-13(21)11-15(14)32(29,30)24-18;1-4-24-16(22)12-13(20)14(18-7-9-23-10-8-18)17-19(15(12)21)6-5-11(2)3;7-4-1-2-5(8)6(3-4)12(9,10)11;1-5(2,3)4/h4-5,12-13,24,28H,6-11H2,1-3H3,(H,22,25);3-4,11-12,27H,5-10H2,1-2H3,(H,22,24);11,20H,4-10H2,1-3H3;1-3H,8H2,(H2,9,10,11);1H3,(H2,2,3,4).

What are the key properties of 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide?

2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide has a molecular weight of 1846.66 g/mol, XLogP of 3.20, 19 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-iodobenzenesulfonamide;ethyl 5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazine-4-carboxylate;5-hydroxy-4-(7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-morpholin-4-ylpyridazin-3-one;N-[3-[5-hydroxy-2-(3-methylbutyl)-6-morpholin-4-yl-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;methanesulfonamide is sourced from PubChem (CID 158945217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).