About (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide
(4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide (PubChem CID 161472840) has the molecular formula C113H116ClF17N26O16S10
and a molecular weight of 2773.43 g/mol. Its IUPAC name is (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide.
Frequently Asked Questions
What is the IUPAC name of (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The IUPAC name of (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide (CID 161472840) is (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide.
What is the SMILES notation for (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The canonical SMILES for (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide is Cc1cc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)n(C)n1.Cn1ccc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)n1.NC(=O)c1cccc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)c1.Nc1cccc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4nccs4)c(F)cc32)n1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)c(Cl)c1.
What is the InChIKey of (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The InChIKey is WDHWLGTVMOAKAQ-RRJFHZRLSA-N. The full InChI is InChI=1S/C24H24F3N5O4S2.C23H21ClF4N4O3S2.C23H23F4N5O3S2.C22H25F3N6O3S2.C21H23F3N6O3S2/c25-24(26,27)16-6-8-32(20(11-16)14-2-1-3-15(10-14)22(28)33)19-7-9-36-21-12-17(4-5-18(19)21)38(34,35)31-23-29-13-30-37-23;24-17-9-13(1-4-18(17)25)20-10-14(23(26,27)28)5-7-32(20)19-6-8-35-21-11-15(2-3-16(19)21)37(33,34)31-22-29-12-30-36-22;24-15-11-14-17(5-8-35-19(14)12-20(15)37(33,34)31-22-29-6-9-36-22)32-7-4-13(23(25,26)27)10-18(32)16-2-1-3-21(28)30-16;1-13-9-18(30(2)28-13)19-10-14(22(23,24)25)5-7-31(19)17-6-8-34-20-11-15(3-4-16(17)20)36(32,33)29-21-26-12-27-35-21;1-29-7-5-16(27-29)18-10-13(21(22,23)24)4-8-30(18)17-6-9-33-19-11-14(2-3-15(17)19)35(31,32)28-20-25-12-26-34-20/h1-5,10,12-13,16,19-20H,6-9,11H2,(H2,28,33)(H,29,30,31);1-4,9,11-12,14,19-20H,5-8,10H2,(H,29,30,31);1-3,6,9,11-13,17-18H,4-5,7-8,10H2,(H2,28,30)(H,29,31);3-4,9,11-12,14,17,19H,5-8,10H2,1-2H3,(H,26,27,29);2-3,5,7,11-13,17-18H,4,6,8-10H2,1H3,(H,25,26,28)/t16-,19+,20+;14-,19+,20+;13-,17+,18+;14-,17+,19+;13-,17+,18+/m11111/s1.
What are the key properties of (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide?
(4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide has a molecular weight of 2773.43 g/mol, XLogP of 23.28, 26 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S,4R)-2-(6-amino-2-pyridinyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;3-[(2S,4R)-1-[(4S)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]benzamide is sourced from PubChem (CID 161472840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).