4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide

C73H91Br5F6N36O21S5 — CID 158153800

About 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide

4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 158153800) has the molecular formula C73H91Br5F6N36O21S5 and a molecular weight of 2482.60 g/mol. Its IUPAC name is 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

• Compound Name: 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
• PubChem CID: 158153800
• Molecular Formula: C73H91Br5F6N36O21S5
• Molecular Weight: 2482.60 g/mol
• Exact Mass: 2476.16
• IUPAC Name: 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
• SMILES: CN(C)S(=O)(=O)N1CC(C)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(C)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(F)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(N)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(O)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1
• InChI: InChI=1S/C16H21BrFN7O4S.C15H19BrFN7O4S.C14H16BrF2N7O4S.C14H18BrFN8O4S.C14H17BrFN7O5S/c1-16(8-25(9-16)30(27,28)24(2)3)7-19-14-13(22-29-23-14)15(21-26)20-10-4-5-12(18)11(17)6-10;1-15(7-24(8-15)29(26,27)18-2)6-19-13-12(22-28-23-13)14(21-25)20-9-3-4-11(17)10(16)5-9;2*1-18-29(26,27)24-6-14(17,7-24)5-19-12-11(22-28-23-12)13(21-25)20-8-2-3-10(16)9(15)4-8;1-17-29(26,27)23-6-14(24,7-23)5-18-12-11(21-28-22-12)13(20-25)19-8-2-3-10(16)9(15)4-8/h4-6,26H,7-9H2,1-3H3,(H,19,23)(H,20,21);3-5,18,25H,6-8H2,1-2H3,(H,19,23)(H,20,21);2-4,18,25H,5-7H2,1H3,(H,19,23)(H,20,21);2-4,18,25H,5-7,17H2,1H3,(H,19,23)(H,20,21);2-4,17,24-25H,5-7H2,1H3,(H,18,22)(H,19,20)
• InChIKey: FVLCVGBOLNGCAJ-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 762.36 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 42
• Rotatable Bonds: 35
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2482.60
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide?

The IUPAC name of 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide (CID 158153800) is 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide.

What is the SMILES notation for 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide?

The canonical SMILES for 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide is CN(C)S(=O)(=O)N1CC(C)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(C)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(F)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(N)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(O)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.

What is the InChIKey of 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide?

The InChIKey is FVLCVGBOLNGCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN7O4S.C15H19BrFN7O4S.C14H16BrF2N7O4S.C14H18BrFN8O4S.C14H17BrFN7O5S/c1-16(8-25(9-16)30(27,28)24(2)3)7-19-14-13(22-29-23-14)15(21-26)20-10-4-5-12(18)11(17)6-10;1-15(7-24(8-15)29(26,27)18-2)6-19-13-12(22-28-23-13)14(21-25)20-9-3-4-11(17)10(16)5-9;2*1-18-29(26,27)24-6-14(17,7-24)5-19-12-11(22-28-23-12)13(21-25)20-8-2-3-10(16)9(15)4-8;1-17-29(26,27)23-6-14(24,7-23)5-18-12-11(21-28-22-12)13(20-25)19-8-2-3-10(16)9(15)4-8/h4-6,26H,7-9H2,1-3H3,(H,19,23)(H,20,21);3-5,18,25H,6-8H2,1-2H3,(H,19,23)(H,20,21);2-4,18,25H,5-7H2,1H3,(H,19,23)(H,20,21);2-4,18,25H,5-7,17H2,1H3,(H,19,23)(H,20,21);2-4,17,24-25H,5-7H2,1H3,(H,18,22)(H,19,20).

What are the key properties of 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide?

4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 2482.60 g/mol, XLogP of 3.59, 35 rotatable bonds, 21 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-amino-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-methylazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-hydroxy-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(methylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 158153800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).