About 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 159229828) has the molecular formula C102H108Cl2F18N22O9S4
and a molecular weight of 2327.27 g/mol. Its IUPAC name is 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide (CID 159229828) is 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide is CN(C)[C@H]1CN(c2cc(C(F)(F)F)ccn2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1CN(c2cc(C(F)(F)F)ccn2)CC[C@@H]1Nc1ccc(S(=O)(=O)Nc2ccncn2)c(F)c1.CNCCN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.O=S(=O)(Cc1ccncn1)c1cc(F)c(N[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3F)C[C@@H]2N2CCCC2)cc1F.
What is the InChIKey of 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is KSTHSXXRLMQOCR-AXXKGFJZSA-N. The full InChI is InChI=1S/C28H31ClF4N4O3S.C28H28F6N4O2S.C23H24ClF4N7O2S.C23H25F4N7O2S/c1-34-10-11-37(2)24-13-19(18-4-3-5-20(12-18)28(31,32)33)6-7-25(24)40-26-15-23(30)27(14-22(26)29)41(38,39)16-21-8-9-35-17-36-21;29-21-14-26(41(39,40)15-18-8-9-35-16-36-18)22(30)13-24(21)37-23-7-6-17(12-25(23)38-10-1-2-11-38)19-4-3-5-20(27(19)31)28(32,33)34;1-34(2)19-12-35(22-9-14(3-7-30-22)23(26,27)28)8-5-17(19)32-18-11-16(25)20(10-15(18)24)38(36,37)33-21-4-6-29-13-31-21;1-33(2)19-13-34(22-11-15(5-9-29-22)23(25,26)27)10-7-18(19)31-16-3-4-20(17(24)12-16)37(35,36)32-21-6-8-28-14-30-21/h3-5,8-9,12,14-15,17,19,24-25,34H,6-7,10-11,13,16H2,1-2H3;3-5,8-9,13-14,16-17,23,25,37H,1-2,6-7,10-12,15H2;3-4,6-7,9-11,13,17,19,32H,5,8,12H2,1-2H3,(H,29,31,33);3-6,8-9,11-12,14,18-19,31H,7,10,13H2,1-2H3,(H,28,30,32)/t19-,24-,25-;17-,23-,25-;17-,19-;18-,19-/m0000/s1.
What are the key properties of 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide?
5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 2327.27 g/mol, XLogP of 19.15, 31 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;N'-[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N,N'-dimethylethane-1,2-diamine;2,5-difluoro-N-[(1S,2S,4S)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;4-[[(3S,4S)-3-(dimethylamino)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 159229828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).