About 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 158478233) has the molecular formula C136H165Cl4F13N20O15S10
and a molecular weight of 3029.40 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (CID 158478233) is 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine is CC(O)CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C1CCC1.CN(C)[C@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C1CNC1)[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C1CC1.CN(CCO)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.
What is the InChIKey of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is HHEXEEINKLGAAX-AWDXUMDBSA-N. The full InChI is InChI=1S/2C25H26ClF4N3O2S2.C23H30FN3O3S2.C22H30FN3O2S2.C21H27ClF2N4O3S.C20H26ClFN4O3S/c2*1-33(2)22-7-6-16(15-4-3-5-17(10-15)25(28,29)30)11-21(22)32-20-13-19(27)23(12-18(20)26)37(34,35)14-24-31-8-9-36-24;1-27(16-12-25-13-16)19-4-2-3-5-20(19)30-21-11-18(24)22(10-17(21)15-6-7-15)32(28,29)14-23-26-8-9-31-23;1-26(2)20-9-4-3-8-18(20)25-19-13-17(23)21(12-16(19)15-6-5-7-15)30(27,28)14-22-24-10-11-29-22;1-13(29)12-28(2)18-7-4-3-6-16(18)25-17-11-15(23)19(10-14(17)22)32(30,31)27-21-9-5-8-20(24)26-21;1-26(8-9-27)19-5-3-2-4-17(19)25-18-11-16(22)20(10-15(18)21)30(28,29)12-14-6-7-23-13-24-14/h2*3-5,8-10,12-13,16,21-22,32H,6-7,11,14H2,1-2H3;8-11,15-16,19-20,25H,2-7,12-14H2,1H3;10-13,15,18,20,25H,3-9,14H2,1-2H3;5,8-11,13,16,18,25,29H,3-4,6-7,12H2,1-2H3,(H,26,27);6-7,10-11,13,17,19,25,27H,2-5,8-9,12H2,1H3/t16-,21+,22+;16-,21-,22-;19-,20-;18-,20-;13?,16-,18-;17-,19-/m100000/s1.
What are the key properties of 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 3029.40 g/mol, XLogP of 28.49, 45 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;N-[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]cyclohexyl]-N-methylazetidin-3-amine;trans-(1S,2S)-1-N-[2-cyclobutyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 158478233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).