4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide

C70H81Br5F6N36O21S4 — CID 158665134

About 4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide

4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 158665134) has the molecular formula C70H81Br5F6N36O21S4 and a molecular weight of 2404.43 g/mol. Its IUPAC name is 4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

• Compound Name: 4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide
• PubChem CID: 158665134
• Molecular Formula: C70H81Br5F6N36O21S4
• Molecular Weight: 2404.43 g/mol
• Exact Mass: 2398.11
• IUPAC Name: 4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide
• SMILES: CC1(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CN(S(N)(=O)=O)C1.CN(C)C(=O)C(=O)N1CC(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.NC1(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CN(S(N)(=O)=O)C1.NS(=O)(=O)N1CC(F)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.NS(=O)(=O)N1CC(O)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1
• InChI: InChI=1S/C17H19BrFN7O4.C14H17BrFN7O4S.C13H14BrF2N7O4S.C13H16BrFN8O4S.C13H15BrFN7O5S/c1-25(2)16(27)17(28)26-7-9(8-26)6-20-14-13(23-30-24-14)15(22-29)21-10-3-4-12(19)11(18)5-10;1-14(6-23(7-14)28(17,25)26)5-18-12-11(21-27-22-12)13(20-24)19-8-2-3-10(16)9(15)4-8;2*14-8-3-7(1-2-9(8)15)19-12(20-24)10-11(22-27-21-10)18-4-13(16)5-23(6-13)28(17,25)26;14-8-3-7(1-2-9(8)15)18-12(19-24)10-11(21-27-20-10)17-4-13(23)5-22(6-13)28(16,25)26/h3-5,9,29H,6-8H2,1-2H3,(H,20,24)(H,21,22);2-4,24H,5-7H2,1H3,(H,18,22)(H,19,20)(H2,17,25,26);1-3,24H,4-6H2,(H,18,22)(H,19,20)(H2,17,25,26);1-3,24H,4-6,16H2,(H,18,22)(H,19,20)(H2,17,25,26);1-3,23-24H,4-6H2,(H,17,21)(H,18,19)(H2,16,25,26)
• InChIKey: IDGHOERLGOVQQD-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 818.32 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2404.43
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide?

The IUPAC name of 4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide (CID 158665134) is 4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide.

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

The canonical SMILES for 4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide is CC1(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CN(S(N)(=O)=O)C1.CN(C)C(=O)C(=O)N1CC(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.NC1(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CN(S(N)(=O)=O)C1.NS(=O)(=O)N1CC(F)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.NS(=O)(=O)N1CC(O)(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.

What is the InChIKey of 4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide?

The InChIKey is IDGHOERLGOVQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN7O4.C14H17BrFN7O4S.C13H14BrF2N7O4S.C13H16BrFN8O4S.C13H15BrFN7O5S/c1-25(2)16(27)17(28)26-7-9(8-26)6-20-14-13(23-30-24-14)15(22-29)21-10-3-4-12(19)11(18)5-10;1-14(6-23(7-14)28(17,25)26)5-18-12-11(21-27-22-12)13(20-24)19-8-2-3-10(16)9(15)4-8;2*14-8-3-7(1-2-9(8)15)19-12(20-24)10-11(22-27-21-10)18-4-13(16)5-23(6-13)28(17,25)26;14-8-3-7(1-2-9(8)15)18-12(19-24)10-11(21-27-20-10)17-4-13(23)5-22(6-13)28(16,25)26/h3-5,9,29H,6-8H2,1-2H3,(H,20,24)(H,21,22);2-4,24H,5-7H2,1H3,(H,18,22)(H,19,20)(H2,17,25,26);1-3,24H,4-6H2,(H,18,22)(H,19,20)(H2,17,25,26);1-3,24H,4-6,16H2,(H,18,22)(H,19,20)(H2,17,25,26);1-3,23-24H,4-6H2,(H,17,21)(H,18,19)(H2,16,25,26).

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

4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 2404.43 g/mol, XLogP of 1.97, 29 rotatable bonds, 21 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-amino-1-sulfamoylazetidin-3-yl)methylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[(3-fluoro-1-sulfamoylazetidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2-[3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]azetidin-1-yl]-N,N-dimethyl-2-oxoacetamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-hydroxy-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(3-methyl-1-sulfamoylazetidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 158665134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).