About 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 158257526) has the molecular formula C130H161Cl7F10N22O18S14
and a molecular weight of 3206.94 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (CID 158257526) is 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-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)Nc2nccs2)cc1Cl.CC1CCCN1[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CCN[C@@H]1CCCC[C@H]1Oc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CCN[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1CC=C(C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2cscn2)cc1Cl.O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CC(O)C2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is GHLSMNMJHAEEIN-BBRITVNRSA-N. The full InChI is InChI=1S/C20H26ClFN4O2S2.C19H20ClF4N3O2S2.C19H26ClFN4O3S2.C18H22ClFN4O3S2.C18H23ClFN3O2S2.2C18H22ClFN2O3S2/c1-13-5-4-9-26(13)18-7-3-2-6-16(18)24-17-12-15(22)19(11-14(17)21)30(27,28)25-20-23-8-10-29-20;1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;1-12(26)11-25(2)17-6-4-3-5-15(17)23-16-10-14(21)18(9-13(16)20)30(27,28)24-19-22-7-8-29-19;19-12-7-17(29(26,27)23-18-21-5-6-28-18)13(20)8-15(12)22-14-3-1-2-4-16(14)24-9-11(25)10-24;1-23(2)17-6-4-3-5-15(17)22-16-8-14(20)18(7-13(16)19)27(24,25)10-12-9-26-11-21-12;2*1-2-21-14-5-3-4-6-15(14)25-16-10-13(20)17(9-12(16)19)27(23,24)11-18-22-7-8-26-18/h8,10-13,16,18,24H,2-7,9H2,1H3,(H,23,25);3,5-6,8-9,15-16,26H,4,7,10H2,1-2H3;7-10,12,15,17,23,26H,3-6,11H2,1-2H3,(H,22,24);5-8,11,14,16,22,25H,1-4,9-10H2,(H,21,23);7-9,11,15,17,22H,3-6,10H2,1-2H3;2*7-10,14-15,21H,2-6,11H2,1H3/t13?,16-,18-;15-,16-;12?,15-,17-;14-,16-;15-,17-;2*14-,15-/m0100010/s1.
What are the key properties of 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 3206.94 g/mol, XLogP of 29.37, 46 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(2-methylpyrrolidin-1-yl)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine;trans-(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1R,2R)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenoxy]-N-ethylcyclohexan-1-amine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 158257526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).