About 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine
5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine (PubChem CID 158690234) has the molecular formula C130H163Cl4F9N24O14S10
and a molecular weight of 2919.35 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine?
The IUPAC name of 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine (CID 158690234) is 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine?
The canonical SMILES for 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine is CN(C)[C@H]1CC=C(c2cccc(C(F)(F)F)c2)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C1CNC1)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C1CC1.CN(CCO)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1C1CC1.CNCCN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.O=S(=O)(Nc1ccncn1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCC(O)C2)cc1F.O=S(=O)(Nc1ccncn1)c1cc(Cl)c(N[C@H]2CCCC[C@@H]2N2CCCC2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine?
The InChIKey is IGGGGQWQXJZEFQ-WIBZMFHISA-N. The full InChI is InChI=1S/C25H24ClF4N3O2S2.C23H31FN4O2S2.C22H30FN3O3S2.C20H25ClFN5O3S.C20H25ClFN5O2S.C20H28ClFN4O2S2/c1-33(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;1-28(16-12-25-13-16)21-5-3-2-4-19(21)27-20-11-18(24)22(10-17(20)15-6-7-15)32(29,30)14-23-26-8-9-31-23;1-26(9-10-27)20-5-3-2-4-18(20)25-19-13-17(23)21(12-16(19)15-6-7-15)31(28,29)14-22-24-8-11-30-22;21-14-9-19(31(29,30)26-20-5-7-23-12-24-20)15(22)10-17(14)25-16-3-1-2-4-18(16)27-8-6-13(28)11-27;21-14-11-19(30(28,29)26-20-7-8-23-13-24-20)15(22)12-17(14)25-16-5-1-2-6-18(16)27-9-3-4-10-27;1-23-7-9-26(2)18-6-4-3-5-16(18)25-17-12-15(22)19(11-14(17)21)30(27,28)13-20-24-8-10-29-20/h3-6,8-10,12-13,21-22,32H,7,11,14H2,1-2H3;8-11,15-16,19,21,25,27H,2-7,12-14H2,1H3;8,11-13,15,18,20,25,27H,2-7,9-10,14H2,1H3;5,7,9-10,12-13,16,18,25,28H,1-4,6,8,11H2,(H,23,24,26);7-8,11-13,16,18,25H,1-6,9-10H2,(H,23,24,26);8,10-12,16,18,23,25H,3-7,9,13H2,1-2H3/t21-,22-;19-,21-;18-,20-;13?,16-,18-;2*16-,18-/m000000/s1.
What are the key properties of 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine?
5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine has a molecular weight of 2919.35 g/mol, XLogP of 24.59, 45 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[[(1S,2S)-2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-2-fluoro-N-pyrimidin-4-yl-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]benzenesulfonamide;(1S,2S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohex-4-ene-1,2-diamine;2-[[(1S,2S)-2-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-cyclopropyl-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-[2-(methylamino)ethyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 158690234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).