N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide

C78H101Br5F5N35O20S5 — CID 157411897

About N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide

N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 157411897) has the molecular formula C78H101Br5F5N35O20S5 and a molecular weight of 2503.74 g/mol. Its IUPAC name is N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

• Compound Name: N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
• PubChem CID: 157411897
• Molecular Formula: C78H101Br5F5N35O20S5
• Molecular Weight: 2503.74 g/mol
• Exact Mass: 2497.24
• IUPAC Name: N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
• SMILES: CC(C)NS(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CCNS(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CN(C)S(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.NS(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1
• InChI: InChI=1S/C17H23BrFN7O4S.2C16H21BrFN7O4S.C15H19BrFN7O4S.C14H17BrFN7O4S/c1-10(2)25-31(28,29)26-8-11(9-26)5-6-20-16-15(23-30-24-16)17(22-27)21-12-3-4-14(19)13(18)7-12;1-24(2)30(27,28)25-8-10(9-25)5-6-19-15-14(22-29-23-15)16(21-26)20-11-3-4-13(18)12(17)7-11;1-2-20-30(27,28)25-8-10(9-25)5-6-19-15-14(23-29-24-15)16(22-26)21-11-3-4-13(18)12(17)7-11;1-18-29(26,27)24-7-9(8-24)4-5-19-14-13(22-28-23-14)15(21-25)20-10-2-3-12(17)11(16)6-10;15-10-5-9(1-2-11(10)16)19-14(20-24)12-13(22-27-21-12)18-4-3-8-6-23(7-8)28(17,25)26/h3-4,7,10-11,25,27H,5-6,8-9H2,1-2H3,(H,20,24)(H,21,22);3-4,7,10,26H,5-6,8-9H2,1-2H3,(H,19,23)(H,20,21);3-4,7,10,20,26H,2,5-6,8-9H2,1H3,(H,19,24)(H,21,22);2-3,6,9,18,25H,4-5,7-8H2,1H3,(H,19,23)(H,20,21);1-2,5,8,24H,3-4,6-7H2,(H,18,22)(H,19,20)(H2,17,25,26)
• InChIKey: BOJPNPQDNVGIIW-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 730.10 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 40
• Rotatable Bonds: 41
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.74
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	40

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 N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide?

The IUPAC name of N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide (CID 157411897) is N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide.

What is the SMILES notation for N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide?

The canonical SMILES for N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide is CC(C)NS(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CCNS(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CN(C)S(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CNS(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.NS(=O)(=O)N1CC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.

What is the InChIKey of N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide?

The InChIKey is BOJPNPQDNVGIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFN7O4S.2C16H21BrFN7O4S.C15H19BrFN7O4S.C14H17BrFN7O4S/c1-10(2)25-31(28,29)26-8-11(9-26)5-6-20-16-15(23-30-24-16)17(22-27)21-12-3-4-14(19)13(18)7-12;1-24(2)30(27,28)25-8-10(9-25)5-6-19-15-14(22-29-23-15)16(21-26)20-11-3-4-13(18)12(17)7-11;1-2-20-30(27,28)25-8-10(9-25)5-6-19-15-14(23-29-24-15)16(22-26)21-11-3-4-13(18)12(17)7-11;1-18-29(26,27)24-7-9(8-24)4-5-19-14-13(22-28-23-14)15(21-25)20-10-2-3-12(17)11(16)6-10;15-10-5-9(1-2-11(10)16)19-14(20-24)12-13(22-27-21-12)18-4-3-8-6-23(7-8)28(17,25)26/h3-4,7,10-11,25,27H,5-6,8-9H2,1-2H3,(H,20,24)(H,21,22);3-4,7,10,26H,5-6,8-9H2,1-2H3,(H,19,23)(H,20,21);3-4,7,10,20,26H,2,5-6,8-9H2,1H3,(H,19,24)(H,21,22);2-3,6,9,18,25H,4-5,7-8H2,1H3,(H,19,23)(H,20,21);1-2,5,8,24H,3-4,6-7H2,(H,18,22)(H,19,20)(H2,17,25,26).

What are the key properties of N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide?

N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 2503.74 g/mol, XLogP of 7.38, 41 rotatable bonds, 19 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(dimethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[1-(ethylsulfamoyl)azetidin-3-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(methylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylazetidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 157411897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).