About N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate (PubChem CID 158005938) has the molecular formula C103H150Br6F6N42O24S6
and a molecular weight of 3146.42 g/mol. Its IUPAC name is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate.
Frequently Asked Questions
What is the IUPAC name of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate?
The IUPAC name of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate (CID 158005938) is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate.
What is the SMILES notation for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate?
The canonical SMILES for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate is N/C(=N\c1ccc(F)c(Br)c1)c1nonc1NC1CCC(CCNS(N)(=O)=O)C1.N/C(=N\c1ccc(F)c(Br)c1)c1nonc1NC1CCC(CNS(N)(=O)=O)C1.N/C(=N\c1ccc(F)c(Br)c1)c1nonc1NCC1CCCC(CCNS(N)(=O)=O)C1.N/C(=N\c1ccc(F)c(Br)c1)c1nonc1NCC1CCCC(CNS(N)(=O)=O)C1.N/C(=N\c1ccc(F)c(Br)c1)c1nonc1NCCC1CCCC(CNS(N)(=O)=O)C1.NS(=O)(=O)NCCC1CCCC(CCNc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)C1.O.O.O.O.O.
What is the InChIKey of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate?
The InChIKey is ITXPKPXZCFJKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrFN7O4S.2C18H25BrFN7O3S.C17H23BrFN7O3S.C16H21BrFN7O3S.C15H19BrFN7O3S.5H2O/c20-15-11-14(4-5-16(15)21)25-19(26-29)17-18(28-32-27-17)23-8-6-12-2-1-3-13(10-12)7-9-24-33(22,30)31;19-14-9-13(4-5-15(14)20)25-17(21)16-18(27-30-26-16)23-10-12-3-1-2-11(8-12)6-7-24-31(22,28)29;19-14-9-13(4-5-15(14)20)25-17(21)16-18(27-30-26-16)23-7-6-11-2-1-3-12(8-11)10-24-31(22,28)29;18-13-7-12(4-5-14(13)19)24-16(20)15-17(26-29-25-15)22-8-10-2-1-3-11(6-10)9-23-30(21,27)28;17-12-8-11(3-4-13(12)18)22-15(19)14-16(25-28-24-14)23-10-2-1-9(7-10)5-6-21-29(20,26)27;16-11-6-10(3-4-12(11)17)21-14(18)13-15(24-27-23-13)22-9-2-1-8(5-9)7-20-28(19,25)26;;;;;/h4-5,11-13,24,29H,1-3,6-10H2,(H,23,28)(H,25,26)(H2,22,30,31);2*4-5,9,11-12,24H,1-3,6-8,10H2,(H2,21,25)(H,23,27)(H2,22,28,29);4-5,7,10-11,23H,1-3,6,8-9H2,(H2,20,24)(H,22,26)(H2,21,27,28);3-4,8-10,21H,1-2,5-7H2,(H2,19,22)(H,23,25)(H2,20,26,27);3-4,6,8-9,20H,1-2,5,7H2,(H2,18,21)(H,22,24)(H2,19,25,26);5*1H2.
What are the key properties of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate?
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate has a molecular weight of 3146.42 g/mol, XLogP of 8.69, 51 rotatable bonds, 25 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[3-[2-(sulfamoylamino)ethyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[2-(sulfamoylamino)ethyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[2-[3-[(sulfamoylamino)methyl]cyclohexyl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide;N'-(3-bromo-4-fluorophenyl)-4-[[3-[(sulfamoylamino)methyl]cyclopentyl]amino]-1,2,5-oxadiazole-3-carboximidamide;pentahydrate is sourced from PubChem (CID 158005938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).