About (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 158307656) has the molecular formula C139H161F2N37O22S14
and a molecular weight of 3188.99 g/mol. Its IUPAC name is (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.
Frequently Asked Questions
What is the IUPAC name of (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 158307656) is (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is C[C@@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccn[nH]2)C1.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccn[nH]2)C1.C[C@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccn[nH]2)C1.C[C@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccn[nH]2)C1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC2(CC1)COC2.[C-]#[N+]C1CC12CCN([C@H]1CCOc3cc(S(=O)(=O)Nc4ncns4)ccc31)CC2.
What is the InChIKey of (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is GNGZPAQNJVQHIL-NEKMETAMSA-N. The full InChI is InChI=1S/C22H22F2N4O3S2.4C20H24N6O3S2.C19H21N5O3S2.C18H22N4O4S2/c23-22(24)9-10-28(19(13-22)15-4-2-1-3-5-15)18-8-11-31-20-12-16(6-7-17(18)20)33(29,30)27-21-25-14-26-32-21;4*1-13-5-8-26(18(10-13)16-4-7-22-24-16)17-6-9-29-19-11-14(2-3-15(17)19)31(27,28)25-20-21-12-23-30-20;1-20-17-11-19(17)5-7-24(8-6-19)15-4-9-27-16-10-13(2-3-14(15)16)29(25,26)23-18-21-12-22-28-18;23-28(24,21-17-19-12-20-27-17)13-1-2-14-15(3-8-26-16(14)9-13)22-6-4-18(5-7-22)10-25-11-18/h1-7,12,14,18-19H,8-11,13H2,(H,25,26,27);4*2-4,7,11-13,17-18H,5-6,8-10H2,1H3,(H,22,24)(H,21,23,25);2-3,10,12,15,17H,4-9,11H2,(H,21,22,23);1-2,9,12,15H,3-8,10-11H2,(H,19,20,21)/t18-,19+;2*13-,17+,18+;2*13-,17-,18+;15-,17?;15-/m0101000/s1.
What are the key properties of (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 3188.99 g/mol, XLogP of 23.28, 33 rotatable bonds, 11 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-isocyano-6-azaspiro[2.5]octan-6-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 158307656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).