About 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide
5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide (PubChem CID 163504793) has the molecular formula C135H144Cl5F12N31O10S5
and a molecular weight of 2926.42 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide?
The IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide (CID 163504793) is 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide?
The canonical SMILES for 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide is CN(C)[C@H]1C[C@@H](c2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(-c3ccnn3C)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(-c3cnn(C)c3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(-n3cccn3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.O=S(=O)(Nc1ccncn1)c1cc(F)c(N[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N2CCCC2)cc1F.
What is the InChIKey of 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide?
The InChIKey is CXRNPAIEUDIXKQ-PAZMBXNPSA-N. The full InChI is InChI=1S/2C28H31ClFN7O2S.C27H29ClFN7O2S.C27H28F5N5O2S.C25H25Cl2F4N5O2S/c1-36(2)26-14-19(18-5-4-6-20(13-18)25-9-12-33-37(25)3)7-8-23(26)34-24-16-22(30)27(15-21(24)29)40(38,39)35-28-10-11-31-17-32-28;1-36(2)26-12-20(18-5-4-6-19(11-18)21-15-33-37(3)16-21)7-8-24(26)34-25-14-23(30)27(13-22(25)29)40(38,39)35-28-9-10-31-17-32-28;1-35(2)25-14-19(18-5-3-6-20(13-18)36-12-4-10-32-36)7-8-23(25)33-24-16-22(29)26(15-21(24)28)39(37,38)34-27-9-11-30-17-31-27;28-20-15-25(40(38,39)36-26-8-9-33-16-34-26)21(29)14-23(20)35-22-7-6-18(13-24(22)37-10-1-2-11-37)17-4-3-5-19(12-17)27(30,31)32;1-36(2)22-9-14(15-7-16(25(29,30)31)10-17(26)8-15)3-4-20(22)34-21-12-19(28)23(11-18(21)27)39(37,38)35-24-5-6-32-13-33-24/h4-6,9-13,15-17,19,23,26,34H,7-8,14H2,1-3H3,(H,31,32,35);4-6,9-11,13-17,20,24,26,34H,7-8,12H2,1-3H3,(H,31,32,35);3-6,9-13,15-17,19,23,25,33H,7-8,14H2,1-2H3,(H,30,31,34);3-5,8-9,12,14-16,18,22,24,35H,1-2,6-7,10-11,13H2,(H,33,34,36);5-8,10-14,20,22,34H,3-4,9H2,1-2H3,(H,32,33,35)/t19-,23-,26-;20-,24-,26-;19-,23-,25-;18-,22-,24-;14-,20-,22-/m00000/s1.
What are the key properties of 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide?
5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide has a molecular weight of 2926.42 g/mol, XLogP of 27.44, 38 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1S,2S,4S)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(1-methylpyrazol-4-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(2-methylpyrazol-3-yl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-(3-pyrazol-1-ylphenyl)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;2,5-difluoro-N-pyrimidin-4-yl-4-[[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]benzenesulfonamide is sourced from PubChem (CID 163504793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).