C106H90Cl7N13O19S5 — CID 159702938
4-(2-amino-2-oxoethyl)sulfonyl-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide (PubChem CID 159702938) has the molecular formula C106H90Cl7N13O19S5 and a molecular weight of 2258.46 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)sulfonyl-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide.
| Compound Name | 4-(2-amino-2-oxoethyl)sulfonyl-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide |
|---|---|
| PubChem CID | 159702938 |
| Molecular Formula | C106H90Cl7N13O19S5 |
| Molecular Weight | 2258.46 g/mol |
| Exact Mass | 2253.29 |
| IUPAC Name | 4-(2-amino-2-oxoethyl)sulfonyl-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide |
| SMILES | CC(O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1cc(S(=O)(=O)CC(C)O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.NC(=O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCO)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCn2ccnc2)cc1 |
| InChI | InChI=1S/C23H19ClN4O3S.C22H21ClN2O4S.C21H18Cl2N2O4S.C20H15Cl2N3O4S.C20H17ClN2O4S/c24-21-9-6-18(15-20(21)22-3-1-2-10-26-22)27-23(29)17-4-7-19(8-5-17)32(30,31)14-13-28-12-11-25-16-28;1-14-11-17(30(28,29)13-15(2)26)7-8-18(14)22(27)25-16-6-9-20(23)19(12-16)21-5-3-4-10-24-21;1-13(26)12-30(28,29)15-6-7-16(19(23)11-15)21(27)25-14-5-8-18(22)17(10-14)20-4-2-3-9-24-20;21-16-7-4-12(9-15(16)18-3-1-2-8-24-18)25-20(27)14-6-5-13(10-17(14)22)30(28,29)11-19(23)26;21-18-9-6-15(13-17(18)19-3-1-2-10-22-19)23-20(25)14-4-7-16(8-5-14)28(26,27)12-11-24/h1-12,15-16H,13-14H2,(H,27,29);3-12,15,26H,13H2,1-2H3,(H,25,27);2-11,13,26H,12H2,1H3,(H,25,27);1-10H,11H2,(H2,23,26)(H,25,27);1-10,13,24H,11-12H2,(H,23,25) |
| InChIKey | MXVXCYPOMCAYJK-UHFFFAOYSA-N |
| XLogP | 19.89 |
| TPSA | 502.25 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2258.46 |
| LogP ≤ 5 | 19.89 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |