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

C78H100Br5F7N36O21S5 — CID 160870914

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

4-[[3-amino-1-(dimethylsulfamoyl)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-fluoroazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-hydroxyazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 160870914) has the molecular formula C78H100Br5F7N36O21S5 and a molecular weight of 2570.73 g/mol. Its IUPAC name is 4-[[3-amino-1-(dimethylsulfamoyl)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-fluoroazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-hydroxyazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

• Compound Name: 4-[[3-amino-1-(dimethylsulfamoyl)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-fluoroazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-hydroxyazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
• PubChem CID: 160870914
• Molecular Formula: C78H100Br5F7N36O21S5
• Molecular Weight: 2570.73 g/mol
• Exact Mass: 2564.23
• IUPAC Name: 4-[[3-amino-1-(dimethylsulfamoyl)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-fluoroazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-hydroxyazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
• SMILES: CC(C)NS(=O)(=O)N1CC(C)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CC(C)NS(=O)(=O)N1CC(F)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CN(C)S(=O)(=O)N1CC(F)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CN(C)S(=O)(=O)N1CC(N)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CN(C)S(=O)(=O)N1CC(O)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1
• InChI: InChI=1S/C17H23BrFN7O4S.C16H20BrF2N7O4S.C15H18BrF2N7O4S.C15H20BrFN8O4S.C15H19BrFN7O5S/c1-10(2)25-31(28,29)26-8-17(3,9-26)7-20-15-14(23-30-24-15)16(22-27)21-11-4-5-13(19)12(18)6-11;1-9(2)25-31(28,29)26-7-16(19,8-26)6-20-14-13(23-30-24-14)15(22-27)21-10-3-4-12(18)11(17)5-10;2*1-24(2)30(27,28)25-7-15(18,8-25)6-19-13-12(22-29-23-13)14(21-26)20-9-3-4-11(17)10(16)5-9;1-23(2)30(27,28)24-7-15(25,8-24)6-18-13-12(21-29-22-13)14(20-26)19-9-3-4-11(17)10(16)5-9/h4-6,10,25,27H,7-9H2,1-3H3,(H,20,24)(H,21,22);3-5,9,25,27H,6-8H2,1-2H3,(H,20,24)(H,21,22);3-5,26H,6-8H2,1-2H3,(H,19,23)(H,20,21);3-5,26H,6-8,18H2,1-2H3,(H,19,23)(H,20,21);3-5,25-26H,6-8H2,1-2H3,(H,18,22)(H,19,20)
• InChIKey: SLSXYKGPALTRLP-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 744.78 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2570.73
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	19
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-(dimethylsulfamoyl)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-fluoroazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-hydroxyazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide?

The IUPAC name of 4-[[3-amino-1-(dimethylsulfamoyl)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-fluoroazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-hydroxyazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide (CID 160870914) is 4-[[3-amino-1-(dimethylsulfamoyl)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-fluoroazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-hydroxyazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide.

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

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

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

The InChIKey is SLSXYKGPALTRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFN7O4S.C16H20BrF2N7O4S.C15H18BrF2N7O4S.C15H20BrFN8O4S.C15H19BrFN7O5S/c1-10(2)25-31(28,29)26-8-17(3,9-26)7-20-15-14(23-30-24-15)16(22-27)21-11-4-5-13(19)12(18)6-11;1-9(2)25-31(28,29)26-7-16(19,8-26)6-20-14-13(23-30-24-14)15(22-27)21-10-3-4-12(18)11(17)5-10;2*1-24(2)30(27,28)25-7-15(18,8-25)6-19-13-12(22-29-23-13)14(21-26)20-9-3-4-11(17)10(16)5-9;1-23(2)30(27,28)24-7-15(25,8-24)6-18-13-12(21-29-22-13)14(20-26)19-9-3-4-11(17)10(16)5-9/h4-6,10,25,27H,7-9H2,1-3H3,(H,20,24)(H,21,22);3-5,9,25,27H,6-8H2,1-2H3,(H,20,24)(H,21,22);3-5,26H,6-8H2,1-2H3,(H,19,23)(H,20,21);3-5,26H,6-8,18H2,1-2H3,(H,19,23)(H,20,21);3-5,25-26H,6-8H2,1-2H3,(H,18,22)(H,19,20).

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

4-[[3-amino-1-(dimethylsulfamoyl)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-fluoroazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-hydroxyazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 2570.73 g/mol, XLogP of 5.54, 37 rotatable bonds, 19 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-amino-1-(dimethylsulfamoyl)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-fluoroazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)-3-hydroxyazetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-fluoro-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[3-methyl-1-(propan-2-ylsulfamoyl)azetidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 160870914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).