About 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine (PubChem CID 157224203) has the molecular formula C130H159Cl6F14N25O15S8
and a molecular weight of 3047.09 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
The IUPAC name of 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine (CID 157224203) is 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
The canonical SMILES for 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine is CN(C)[C@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(CC(O)C(F)F)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CCC#N)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(CCC(C)(C)O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl.CN(CCCO)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl.O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCCCC2)cc1F.
What is the InChIKey of 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
The InChIKey is ATITVJDJWHUMGH-QQTLYZECSA-N. The full InChI is InChI=1S/C26H27ClF4N4O2S.C23H31ClF2N4O3S.C22H27ClF2N4O2S.C21H27ClF2N4O3S.C19H24ClF3N4O3S2.C19H23ClFN5O2S2/c1-35(2)24-7-6-17(16-4-3-5-18(10-16)26(29,30)31)11-23(24)34-22-13-21(28)25(12-20(22)27)38(36,37)14-19-8-9-32-15-33-19;1-23(2,31)11-12-30(3)19-8-5-4-7-17(19)27-18-14-16(25)20(13-15(18)24)34(32,33)29-22-10-6-9-21(26)28-22;23-15-13-20(32(30,31)28-22-10-6-9-21(25)27-22)16(24)14-18(15)26-17-7-2-3-8-19(17)29-11-4-1-5-12-29;1-28(10-5-11-29)18-7-3-2-6-16(18)25-17-13-15(23)19(12-14(17)22)32(30,31)27-21-9-4-8-20(24)26-21;1-27(10-16(28)18(22)23)15-5-3-2-4-13(15)25-14-9-12(21)17(8-11(14)20)32(29,30)26-19-24-6-7-31-19;1-26(9-4-7-22)17-6-3-2-5-15(17)24-16-12-14(21)18(11-13(16)20)30(27,28)25-19-23-8-10-29-19/h3-5,8-10,12-13,15,17,23-24,34H,6-7,11,14H2,1-2H3;6,9-10,13-14,17,19,27,31H,4-5,7-8,11-12H2,1-3H3,(H,28,29);6,9-10,13-14,17,19,26H,1-5,7-8,11-12H2,(H,27,28);4,8-9,12-13,16,18,25,29H,2-3,5-7,10-11H2,1H3,(H,26,27);6-9,13,15-16,18,25,28H,2-5,10H2,1H3,(H,24,26);8,10-12,15,17,24H,2-6,9H2,1H3,(H,23,25)/t17-,23+,24+;2*17-,19-;16-,18-;13-,15-,16?;15-,17-/m100000/s1.
What are the key properties of 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine?
5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine has a molecular weight of 3047.09 g/mol, XLogP of 27.77, 48 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1S,2S)-2-[2-cyanoethyl(methyl)amino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-[(3,3-difluoro-2-hydroxypropyl)-methylamino]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[3-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 157224203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).