About N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate
N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate (PubChem CID 158020665) has the molecular formula C96H121Br6F6N39O25S6
and a molecular weight of 3007.09 g/mol. Its IUPAC name is N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate.
Frequently Asked Questions
What is the IUPAC name of N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate?
The IUPAC name of N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate (CID 158020665) is N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate.
What is the SMILES notation for N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate?
The canonical SMILES for N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate is CC(C)OS(=O)(=O)N1CCC(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CN(C)S(=O)(=O)N1CCC(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.CS(=O)(=O)N1CCC(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.NS(=O)(=O)N1CCC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1.NS(=O)(=O)N1CCC(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1.O=S(=O)(C1CC1)N1CCC(CNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.
What is the InChIKey of N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate?
The InChIKey is FGAFWKDEWAEDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrFN6O5S.C17H20BrFN6O4S.2C16H21BrFN7O4S.C15H19BrFN7O4S.C15H18BrFN6O4S/c1-10(2)29-31(27,28)25-6-5-11(9-25)8-20-16-15(23-30-24-16)17(22-26)21-12-3-4-14(19)13(18)7-12;18-13-7-11(1-4-14(13)19)21-17(22-26)15-16(24-29-23-15)20-8-10-5-6-25(9-10)30(27,28)12-2-3-12;1-24(2)30(27,28)25-6-5-10(9-25)8-19-15-14(22-29-23-15)16(21-26)20-11-3-4-13(18)12(17)7-11;17-12-9-11(1-2-13(12)18)21-16(22-26)14-15(24-29-23-14)20-6-3-10-4-7-25(8-5-10)30(19,27)28;16-11-7-10(1-2-12(11)17)20-15(21-25)13-14(23-28-22-13)19-8-9-3-5-24(6-4-9)29(18,26)27;1-28(25,26)23-5-4-9(8-23)7-18-14-13(21-27-22-14)15(20-24)19-10-2-3-12(17)11(16)6-10/h3-4,7,10-11,26H,5-6,8-9H2,1-2H3,(H,20,24)(H,21,22);1,4,7,10,12,26H,2-3,5-6,8-9H2,(H,20,24)(H,21,22);3-4,7,10,26H,5-6,8-9H2,1-2H3,(H,19,23)(H,20,21);1-2,9-10,26H,3-8H2,(H,20,24)(H,21,22)(H2,19,27,28);1-2,7,9,25H,3-6,8H2,(H,19,23)(H,20,21)(H2,18,26,27);2-3,6,9,24H,4-5,7-8H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate?
N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate has a molecular weight of 3007.09 g/mol, XLogP of 11.08, 41 rotatable bonds, 20 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpyrrolidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-methylsulfonylpyrrolidin-3-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(1-sulfamoylpiperidin-4-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-sulfamoylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide;propan-2-yl 3-[[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methyl]pyrrolidine-1-sulfonate is sourced from PubChem (CID 158020665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).