About 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 161170054) has the molecular formula C102H103Cl3F21N19O9S4
and a molecular weight of 2372.65 g/mol. Its IUPAC name is 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine (CID 161170054) is 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine is CN(C)[C@H]1C[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1F.CN(C)[C@H]1C[C@@H](c2cc(F)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(C(F)(F)F)c2F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(OC(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.
What is the InChIKey of 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is URBFWXBMOIFYMJ-JHHZWHHSSA-N. The full InChI is InChI=1S/C26H26ClF5N4O2S.C26H25F8N5O2S.C25H25ClF5N5O2S.C25H27ClF3N5O3S/c1-36(2)23-10-15(17-4-3-5-18(25(17)29)26(30,31)32)6-7-21(23)35-22-12-20(28)24(11-19(22)27)39(37,38)13-16-8-9-33-14-34-16;1-39(2)22-9-14(15-7-16(25(29,30)31)10-17(8-15)26(32,33)34)3-4-20(22)37-21-11-19(28)23(12-18(21)27)42(40,41)38-24-5-6-35-13-36-24;1-36(2)22-9-14(15-7-16(25(29,30)31)10-17(27)8-15)3-4-20(22)34-21-12-19(28)23(11-18(21)26)39(37,38)35-24-5-6-32-13-33-24;1-34(2)22-11-16(15-4-3-5-17(10-15)37-25(28)29)6-7-20(22)32-21-13-19(27)23(12-18(21)26)38(35,36)33-24-8-9-30-14-31-24/h3-5,8-9,11-12,14-15,21,23,35H,6-7,10,13H2,1-2H3;5-8,10-14,20,22,37H,3-4,9H2,1-2H3,(H,35,36,38);5-8,10-14,20,22,34H,3-4,9H2,1-2H3,(H,32,33,35);3-5,8-10,12-14,16,20,22,25,32H,6-7,11H2,1-2H3,(H,30,31,33)/t15-,21-,23-;2*14-,20-,22-;16-,20-,22-/m0000/s1.
What are the key properties of 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine?
4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 2372.65 g/mol, XLogP of 23.61, 30 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2,5-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-4-[3-(difluoromethoxy)phenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 161170054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).