C83H75Cl4N15O11S2 — CID 159642169
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 159642169) has the molecular formula C83H75Cl4N15O11S2 and a molecular weight of 1664.55 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.
| Compound Name | N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide |
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| PubChem CID | 159642169 |
| Molecular Formula | C83H75Cl4N15O11S2 |
| Molecular Weight | 1664.55 g/mol |
| Exact Mass | 1661.40 |
| IUPAC Name | N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide |
| SMILES | COCCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(C)n1.C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cccn2)nc1 |
| InChI | InChI=1S/C21H21ClN4O2.2C21H20ClN3O4S.C20H14ClN5O/c1-14-16(7-9-20(25-14)24-11-12-28-2)21(27)26-15-6-8-18(22)17(13-15)19-5-3-4-10-23-19;2*1-14(26)13-24-30(28,29)17-8-5-15(6-9-17)21(27)25-16-7-10-19(22)18(12-16)20-4-2-3-11-23-20;21-17-7-6-15(12-16(17)18-4-1-2-9-22-18)25-20(27)14-5-8-19(23-13-14)26-11-3-10-24-26/h3-10,13H,11-12H2,1-2H3,(H,24,25)(H,26,27);2*2-12,14,24,26H,13H2,1H3,(H,25,27);1-13H,(H,25,27)/t;2*14-;/m.10./s1 |
| InChIKey | MQMNKGYMGJJXAS-JZFVKLSFSA-N |
| XLogP | 15.28 |
| TPSA | 365.62 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 115 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1664.55 |
| LogP ≤ 5 | 15.28 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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