About 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (PubChem CID 159217787) has the molecular formula C104H106Cl3F13N20O13S4
and a molecular weight of 2325.72 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (CID 159217787) is 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CCC1n1c(=O)oc2cc(S(=O)(=O)Nc3ccncn3)c(F)cc21.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1N1C(=O)COc2cc(S(=O)(=O)Nc3ccncn3)c(F)cc21.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1N1CCOc2cc(S(=O)(=O)Nc3ccncn3)c(F)cc21.
What is the InChIKey of 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The InChIKey is KRHIXRFHCAWKCR-IJXPNMQGSA-N. The full InChI is InChI=1S/C27H27F4N5O4S.C27H29F4N5O3S.C26H25F4N5O4S.C24H25Cl3FN5O2S/c1-35(2)21-11-17(16-4-3-5-18(10-16)27(29,30)31)6-7-20(21)36-22-12-19(28)24(13-23(22)40-14-26(36)37)41(38,39)34-25-8-9-32-15-33-25;1-35(2)22-13-18(17-4-3-5-19(12-17)27(29,30)31)6-7-21(22)36-10-11-39-24-15-25(20(28)14-23(24)36)40(37,38)34-26-8-9-32-16-33-26;1-34(2)20-11-16(15-4-3-5-17(10-15)26(28,29)30)6-7-19(20)35-21-12-18(27)23(13-22(21)39-25(35)36)40(37,38)33-24-8-9-31-14-32-24;1-33(2)22-10-15(14-3-5-16(25)17(26)9-14)4-6-20(22)31-21-12-19(28)23(11-18(21)27)36(34,35)32-24-7-8-29-13-30-24/h3-5,8-10,12-13,15,17,20-21H,6-7,11,14H2,1-2H3,(H,32,33,34);3-5,8-9,12,14-16,18,21-22H,6-7,10-11,13H2,1-2H3,(H,32,33,34);3-5,8-10,12-14,16,19-20H,6-7,11H2,1-2H3,(H,31,32,33);3,5,7-9,11-13,15,20,22,31H,4,6,10H2,1-2H3,(H,29,30,32)/t17-,20-,21-;18-,21-,22-;16-,19?,20-;15-,20-,22-/m0000/s1.
What are the key properties of 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide has a molecular weight of 2325.72 g/mol, XLogP of 20.17, 25 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1S,2S,4S)-4-(3,4-dichlorophenyl)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-3-oxo-N-pyrimidin-4-yl-1,4-benzoxazine-7-sulfonamide;3-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-5-fluoro-2-oxo-N-pyrimidin-4-yl-1,3-benzoxazole-6-sulfonamide;4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-6-fluoro-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 159217787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).