C163H127Cl9N36O18S9 — CID 157328833
N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide (PubChem CID 157328833) has the molecular formula C163H127Cl9N36O18S9 and a molecular weight of 3485.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide.
| Compound Name | N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide |
|---|---|
| PubChem CID | 157328833 |
| Molecular Formula | C163H127Cl9N36O18S9 |
| Molecular Weight | 3485.72 g/mol |
| Exact Mass | 3478.48 |
| IUPAC Name | N-(2-chlorophenyl)-2-cyclohexyl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-cyclopenta-1,4-dien-1-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyrazin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-chlorophenyl)-2-pyridazin-3-yl-3H-benzimidazole-5-sulfonamide;bis(N-(2-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide);N-(2-chlorophenyl)-2-pyridin-3-yl-3H-benzimidazole-5-sulfonamide |
| SMILES | Cc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccnc3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccnn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cnccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3=CCC=C3)[nH]c2c1.O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3CCCCC3)[nH]c2c1 |
| InChI | InChI=1S/2C19H15ClN4O2S.C19H20ClN3O2S.3C18H13ClN4O2S.C18H14ClN3O2S.2C17H12ClN5O2S/c2*1-12-5-4-8-17(21-12)19-22-16-10-9-13(11-18(16)23-19)27(25,26)24-15-7-3-2-6-14(15)20;20-15-8-4-5-9-16(15)23-26(24,25)14-10-11-17-18(12-14)22-19(21-17)13-6-2-1-3-7-13;19-14-5-1-2-6-15(14)23-26(24,25)13-7-8-16-17(10-13)22-18(21-16)12-4-3-9-20-11-12;2*19-13-5-1-2-6-14(13)23-26(24,25)12-8-9-15-17(11-12)22-18(21-15)16-7-3-4-10-20-16;19-14-7-3-4-8-15(14)22-25(23,24)13-9-10-16-17(11-13)21-18(20-16)12-5-1-2-6-12;18-12-4-1-2-5-13(12)23-26(24,25)11-7-8-14-16(10-11)21-17(20-14)15-6-3-9-19-22-15;18-12-3-1-2-4-13(12)23-26(24,25)11-5-6-14-15(9-11)22-17(21-14)16-10-19-7-8-20-16/h2*2-11,24H,1H3,(H,22,23);4-5,8-13,23H,1-3,6-7H2,(H,21,22);3*1-11,23H,(H,21,22);1,3-11,22H,2H2,(H,20,21);1-10,23H,(H,20,21);1-10,23H,(H,21,22) |
| InChIKey | BFAUJSZDWNQROD-UHFFFAOYSA-N |
| XLogP | 37.39 |
| TPSA | 789.66 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 235 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3485.72 |
| LogP ≤ 5 | 37.39 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 36 |