About 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine
5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine (PubChem CID 157330525) has the molecular formula C136H173Cl7F12N24O15S13
and a molecular weight of 3277.05 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine?
The IUPAC name of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine (CID 157330525) is 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine is CN(C)[C@@H]1C[C@H](C(F)(F)F)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl.CN(C1CNC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(CCF)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(CCO)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN1CC(N(C)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Cc3nccs3)cc2Cl)C1.Cc1cnc(CS(=O)(=O)c2cc(Cl)c(N[C@H]3CCCC[C@@H]3N(C)C)cc2F)s1.
What is the InChIKey of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine?
The InChIKey is BFFSMJVTYZPRGD-PMCIVHPXSA-N. The full InChI is InChI=1S/C21H28ClFN4O2S2.C20H26ClFN4O2S2.C19H22ClF4N3O2S2.C19H23ClF2N4O2S.C19H24ClF2N3O2S2.C19H25ClFN3O3S2.C19H25ClFN3O2S2/c1-26-11-14(12-26)27(2)19-6-4-3-5-17(19)25-18-10-16(23)20(9-15(18)22)31(28,29)13-21-24-7-8-30-21;1-26(13-10-23-11-13)18-5-3-2-4-16(18)25-17-9-15(22)19(8-14(17)21)30(27,28)12-20-24-6-7-29-20;1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;1-26(2)16-7-4-3-6-14(16)23-15-11-13(21)17(10-12(15)20)29(27,28)25-19-9-5-8-18(22)24-19;1-25(8-6-21)17-5-3-2-4-15(17)24-16-11-14(22)18(10-13(16)20)29(26,27)12-19-23-7-9-28-19;1-24(7-8-25)17-5-3-2-4-15(17)23-16-11-14(21)18(10-13(16)20)29(26,27)12-19-22-6-9-28-19;1-12-10-22-19(27-12)11-28(25,26)18-8-13(20)16(9-14(18)21)23-15-6-4-5-7-17(15)24(2)3/h7-10,14,17,19,25H,3-6,11-13H2,1-2H3;6-9,13,16,18,23,25H,2-5,10-12H2,1H3;5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;5,8-11,14,16,23H,3-4,6-7H2,1-2H3,(H,24,25);7,9-11,15,17,24H,2-6,8,12H2,1H3;6,9-11,15,17,23,25H,2-5,7-8,12H2,1H3;8-10,15,17,23H,4-7,11H2,1-3H3/t17-,19-;16-,18-;11-,14-,16-;14-,16-;3*15-,17-/m0010000/s1.
What are the key properties of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine?
5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine has a molecular weight of 3277.05 g/mol, XLogP of 29.09, 48 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 157330525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).