C106H82Cl7N15O10S4 — CID 162150318
2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methoxybenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 162150318) has the molecular formula C106H82Cl7N15O10S4 and a molecular weight of 2102.36 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methoxybenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide.
| Compound Name | 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methoxybenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide |
|---|---|
| PubChem CID | 162150318 |
| Molecular Formula | C106H82Cl7N15O10S4 |
| Molecular Weight | 2102.36 g/mol |
| Exact Mass | 2097.31 |
| IUPAC Name | 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methoxybenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide |
| SMILES | COc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.Cc1ccsc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Clc1sc(NCc2ccccc2)nc1-c1ccccn1.Nc1ncccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1 |
| InChI | InChI=1S/C19H14Cl2N2O3S.C19H15ClN2O3S.C19H15ClN2O2.C17H13ClN4O.C17H13ClN2OS.C15H12ClN3S/c1-27(25,26)13-6-8-17(21)15(11-13)19(24)23-12-5-7-16(20)14(10-12)18-4-2-3-9-22-18;1-26(24,25)15-6-4-5-13(11-15)19(23)22-14-8-9-17(20)16(12-14)18-7-2-3-10-21-18;1-24-15-8-5-13(6-9-15)19(23)22-14-7-10-17(20)16(12-14)18-4-2-3-11-21-18;18-14-7-6-11(10-13(14)15-5-1-2-8-20-15)22-17(23)12-4-3-9-21-16(12)19;1-11-7-9-22-16(11)17(21)20-12-5-6-14(18)13(10-12)15-4-2-3-8-19-15;16-14-13(12-8-4-5-9-17-12)19-15(20-14)18-10-11-6-2-1-3-7-11/h2-11H,1H3,(H,23,24);2-12H,1H3,(H,22,23);2-12H,1H3,(H,22,23);1-10H,(H2,19,21)(H,22,23);2-10H,1H3,(H,20,21);1-9H,10H2,(H,18,19) |
| InChIKey | ZLCSGXBQABYJKM-UHFFFAOYSA-N |
| XLogP | 26.56 |
| TPSA | 364.18 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2102.36 |
| LogP ≤ 5 | 26.56 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 22 |