(4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
C143H167F3N26O18S12 — CID 158211770
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCC(C)[C@@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccccc2)C1.CC(C)[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccccc2)C1.CC(C)[C@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccccc2)C1.CC(C)[C@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccccc2)C1.C[C@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccnn2C)C1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/4C25H30N4O3S2.C22H21F3N4O3S2.C21H26N6O3S2/c4*1-17(2)19-10-12-29(23(14-19)18-6-4-3-5-7-18)22-11-13-32-24-15-20(8-9-21(22)24)34(30,31)28-25-26-16-27-33-25;23-15-3-1-14(2-4-15)19-12-22(24,25)8-9-29(19)18-7-10-32-20-11-16(5-6-17(18)20)34(30,31)28-21-26-13-27-33-21;1-14-6-9-27(19(11-14)18-5-8-23-26(18)2)17-7-10-30-20-12-15(3-4-16(17)20)32(28,29)25-21-22-13-24-31-21/h4*3-9,15-17,19,22-23H,10-14H2,1-2H3,(H,26,27,28);1-6,11,13,18-19H,7-10,12H2,(H,26,27,28);3-5,8,12-14,17,19H,6-7,9-11H2,1-2H3,(H,22,24,25)/t2*19-,22+,23+;2*19-,22-,23+;18-,19+;14-,17+,19+/m101000/s1
InChIKeyGCDYRNZPENESLZ-ZAZHBCPLSA-N
MW2979.87 g/mol
LogP29.23
Rot. Bonds34
About (4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
(4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 158211770) has the molecular formula C143H167F3N26O18S12 and a molecular weight of 2979.87 g/mol. Its IUPAC name is (4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.
Molecular Properties
| Compound Name | (4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide |
|---|---|
| PubChem CID | 158211770 |
| Molecular Formula | C143H167F3N26O18S12 |
| Molecular Weight | 2979.87 g/mol |
| Exact Mass | 2976.96 |
| IUPAC Name | (4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide |
| SMILES | CC(C)[C@@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccccc2)C1.CC(C)[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccccc2)C1.CC(C)[C@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccccc2)C1.CC(C)[C@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccccc2)C1.C[C@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccnn2C)C1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@@H]1c1ccc(F)cc1 |
| InChI | InChI=1S/4C25H30N4O3S2.C22H21F3N4O3S2.C21H26N6O3S2/c4*1-17(2)19-10-12-29(23(14-19)18-6-4-3-5-7-18)22-11-13-32-24-15-20(8-9-21(22)24)34(30,31)28-25-26-16-27-33-25;23-15-3-1-14(2-4-15)19-12-22(24,25)8-9-29(19)18-7-10-32-20-11-16(5-6-17(18)20)34(30,31)28-21-26-13-27-33-21;1-14-6-9-27(19(11-14)18-5-8-23-26(18)2)17-7-10-30-20-12-15(3-4-16(17)20)32(28,29)25-21-22-13-24-31-21/h4*3-9,15-17,19,22-23H,10-14H2,1-2H3,(H,26,27,28);1-6,11,13,18-19H,7-10,12H2,(H,26,27,28);3-5,8,12-14,17,19H,6-7,9-11H2,1-2H3,(H,22,24,25)/t2*19-,22+,23+;2*19-,22-,23+;18-,19+;14-,17+,19+/m101000/s1 |
| InChIKey | GCDYRNZPENESLZ-ZAZHBCPLSA-N |
| XLogP | 29.23 |
| TPSA | 524.34 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 202 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2979.87 |
| LogP ≤ 5 | 29.23 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 44 |
Frequently Asked Questions
What is the IUPAC name of (4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-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-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 158211770) is (4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-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-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-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-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is CC(C)[C@@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccccc2)C1.CC(C)[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccccc2)C1.CC(C)[C@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccccc2)C1.CC(C)[C@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccccc2)C1.C[C@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccnn2C)C1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is GCDYRNZPENESLZ-ZAZHBCPLSA-N. The full InChI is InChI=1S/4C25H30N4O3S2.C22H21F3N4O3S2.C21H26N6O3S2/c4*1-17(2)19-10-12-29(23(14-19)18-6-4-3-5-7-18)22-11-13-32-24-15-20(8-9-21(22)24)34(30,31)28-25-26-16-27-33-25;23-15-3-1-14(2-4-15)19-12-22(24,25)8-9-29(19)18-7-10-32-20-11-16(5-6-17(18)20)34(30,31)28-21-26-13-27-33-21;1-14-6-9-27(19(11-14)18-5-8-23-26(18)2)17-7-10-30-20-12-15(3-4-16(17)20)32(28,29)25-21-22-13-24-31-21/h4*3-9,15-17,19,22-23H,10-14H2,1-2H3,(H,26,27,28);1-6,11,13,18-19H,7-10,12H2,(H,26,27,28);3-5,8,12-14,17,19H,6-7,9-11H2,1-2H3,(H,22,24,25)/t2*19-,22+,23+;2*19-,22-,23+;18-,19+;14-,17+,19+/m101000/s1.
What are the key properties of (4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
(4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 2979.87 g/mol, XLogP of 29.23, 34 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-phenyl-4-propan-2-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 158211770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158211770 — identifiers, structure, computed properties (public domain)
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