C130H117Cl6N13O20S7 — CID 159216766
N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclobutylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopentylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropyloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylsulfanylbenzenesulfonamide (PubChem CID 159216766) has the molecular formula C130H117Cl6N13O20S7 and a molecular weight of 2618.62 g/mol. Its IUPAC name is N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclobutylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopentylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropyloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylsulfanylbenzenesulfonamide.
| Compound Name | N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclobutylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopentylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropyloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylsulfanylbenzenesulfonamide |
|---|---|
| PubChem CID | 159216766 |
| Molecular Formula | C130H117Cl6N13O20S7 |
| Molecular Weight | 2618.62 g/mol |
| Exact Mass | 2613.47 |
| IUPAC Name | N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclobutylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopentylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropyloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylsulfanylbenzenesulfonamide |
| SMILES | CC(C)(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)Nc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)Sc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CCC2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CCCC2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(OC2CC2)cc1 |
| InChI | InChI=1S/C23H21ClN2O3S.C22H21ClN2O4S.C22H19ClN2O3S.C21H20ClN3O3S.C21H17ClN2O4S.C21H19ClN2O3S2/c24-19-14-21(22(27)18-8-2-1-3-9-18)23(25-15-19)26-30(28,29)20-12-10-17(11-13-20)16-6-4-5-7-16;1-22(2,3)29-17-9-11-18(12-10-17)30(27,28)25-21-19(13-16(23)14-24-21)20(26)15-7-5-4-6-8-15;23-18-13-20(21(26)17-5-2-1-3-6-17)22(24-14-18)25-29(27,28)19-11-9-16(10-12-19)15-7-4-8-15;1-14(2)24-17-8-10-18(11-9-17)29(27,28)25-21-19(12-16(22)13-23-21)20(26)15-6-4-3-5-7-15;22-15-12-19(20(25)14-4-2-1-3-5-14)21(23-13-15)24-29(26,27)18-10-8-17(9-11-18)28-16-6-7-16;1-14(2)28-17-8-10-18(11-9-17)29(26,27)24-21-19(12-16(22)13-23-21)20(25)15-6-4-3-5-7-15/h1-3,8-16H,4-7H2,(H,25,26);4-14H,1-3H3,(H,24,25);1-3,5-6,9-15H,4,7-8H2,(H,24,25);3-14,24H,1-2H3,(H,23,25);1-5,8-13,16H,6-7H2,(H,23,24);3-14H,1-2H3,(H,23,24) |
| InChIKey | KRECOYCVBPXXFK-UHFFFAOYSA-N |
| XLogP | 29.57 |
| TPSA | 487.27 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2618.62 |
| LogP ≤ 5 | 29.57 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |