About 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine
5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine (PubChem CID 161079908) has the molecular formula C128H157Cl8F15N28O15S14
and a molecular weight of 3345.38 g/mol. Its IUPAC name is 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine (CID 161079908) is 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine is CCN(C)[C@H]1CCCC[C@@H]1N1CCOc2cc(S(=O)(=O)Cc3nccs3)c(F)cc21.CN(C)[C@@H]1CC(F)(F)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CC(F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CC(F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CC2C(C[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc3nccs3)cc1Cl)C2(Cl)Cl.CN(C)[C@H]1CCC(F)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN1CC(N(CC(F)(F)F)[C@H]2CCCC[C@@H]2Nc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)C1.
What is the InChIKey of 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine?
The InChIKey is UFTVGDGYEVYQKT-DKJOAPNASA-N. The full InChI is InChI=1S/C21H26ClF4N5O2S2.C21H28FN3O3S2.C18H20Cl3FN4O2S2.C17H20ClF3N4O2S2.3C17H21ClF2N4O2S2/c1-30-10-13(11-30)31(12-21(24,25)26)18-5-3-2-4-16(18)28-17-9-15(23)19(8-14(17)22)35(32,33)29-20-27-6-7-34-20;1-3-24(2)16-6-4-5-7-17(16)25-9-10-28-19-13-20(15(22)12-18(19)25)30(26,27)14-21-23-8-11-29-21;1-26(2)15-6-10-9(18(10,20)21)5-14(15)24-13-8-12(22)16(7-11(13)19)30(27,28)25-17-23-3-4-29-17;1-25(2)14-9-17(20,21)4-3-12(14)23-13-8-11(19)15(7-10(13)18)29(26,27)24-16-22-5-6-28-16;1-24(2)15-4-3-10(19)7-14(15)22-13-9-12(20)16(8-11(13)18)28(25,26)23-17-21-5-6-27-17;2*1-24(2)15-7-10(19)3-4-13(15)22-14-9-12(20)16(8-11(14)18)28(25,26)23-17-21-5-6-27-17/h6-9,13,16,18,28H,2-5,10-12H2,1H3,(H,27,29);8,11-13,16-17H,3-7,9-10,14H2,1-2H3;3-4,7-10,14-15,24H,5-6H2,1-2H3,(H,23,25);5-8,12,14,23H,3-4,9H2,1-2H3,(H,22,24);5-6,8-10,14-15,22H,3-4,7H2,1-2H3,(H,21,23);2*5-6,8-10,13,15,22H,3-4,7H2,1-2H3,(H,21,23)/t16-,18-;16-,17-;9?,10?,14-,15-;12-,14-;10?,14-,15-;2*10?,13-,15-/m0001000/s1.
What are the key properties of 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine?
5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine has a molecular weight of 3345.38 g/mol, XLogP of 29.19, 44 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(3S,4S)-7,7-dichloro-4-(dimethylamino)-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1R,2R)-2-(dimethylamino)-4,4-difluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(5-chloro-4-[[(1S,2S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide);5-chloro-4-[[(1S,2S)-2-(dimethylamino)-5-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[(1-methylazetidin-3-yl)-(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;trans-(1S,2S)-N-ethyl-2-[6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 161079908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).