About (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine
(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine (PubChem CID 172922662) has the molecular formula C106H125Br6F9N24O26S6
and a molecular weight of 2994.12 g/mol. Its IUPAC name is (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine.
Frequently Asked Questions
What is the IUPAC name of (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine (CID 172922662) is (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine is O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)N1CC(F)(F)C1.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)N1CC(F)C1.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)N1CC(O)C1.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)N1CCCC1.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)N1CCCCC1.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)N1CCOCC1.
What is the InChIKey of (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine?
The InChIKey is RNOOTNVLSMWQIU-NWAIXKHQSA-N. The full InChI is InChI=1S/C19H24BrFN4O4S.C18H22BrFN4O5S.C18H22BrFN4O4S.C17H18BrF3N4O4S.C17H19BrF2N4O4S.C17H20BrFN4O5S/c20-15-12-14(7-8-16(15)21)13-18(22-26)19-17(23-29-24-19)6-2-5-11-30(27,28)25-9-3-1-4-10-25;19-14-11-13(4-5-15(14)20)12-17(21-25)18-16(22-29-23-18)3-1-2-10-30(26,27)24-6-8-28-9-7-24;19-14-11-13(6-7-15(14)20)12-17(21-25)18-16(22-28-23-18)5-1-4-10-29(26,27)24-8-2-3-9-24;18-12-7-11(4-5-13(12)19)8-15(22-26)16-14(23-29-24-16)3-1-2-6-30(27,28)25-9-17(20,21)10-25;18-13-7-11(4-5-14(13)20)8-16(21-25)17-15(22-28-23-17)3-1-2-6-29(26,27)24-9-12(19)10-24;18-13-7-11(4-5-14(13)19)8-16(20-25)17-15(21-28-22-17)3-1-2-6-29(26,27)23-9-12(24)10-23/h7-8,12,26H,1-6,9-11,13H2;4-5,11,25H,1-3,6-10,12H2;6-7,11,25H,1-5,8-10,12H2;4-5,7,26H,1-3,6,8-10H2;4-5,7,12,25H,1-3,6,8-10H2;4-5,7,12,24-25H,1-3,6,8-10H2/b22-18+;2*21-17+;22-15+;21-16+;20-16+.
What are the key properties of (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine?
(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine has a molecular weight of 2994.12 g/mol, XLogP of 16.46, 54 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3,3-difluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-[4-(3-fluoroazetidin-1-yl)sulfonylbutyl]-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;1-[4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butylsulfonyl]azetidin-3-ol;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-morpholin-4-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-piperidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine;(NE)-N-[2-(3-bromo-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylsulfonylbutyl)-1,2,5-oxadiazol-3-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 172922662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).