C116H93Cl2F6N11O17S6 — CID 159182297
N-[4-(benzenesulfonyl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide;N-[4-(benzenesulfonyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;methane;N-[4-(4-methylphenyl)sulfonylphenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide (PubChem CID 159182297) has the molecular formula C116H93Cl2F6N11O17S6 and a molecular weight of 2290.38 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide;N-[4-(benzenesulfonyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;methane;N-[4-(4-methylphenyl)sulfonylphenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide.
| Compound Name | N-[4-(benzenesulfonyl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide;N-[4-(benzenesulfonyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;methane;N-[4-(4-methylphenyl)sulfonylphenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide |
|---|---|
| PubChem CID | 159182297 |
| Molecular Formula | C116H93Cl2F6N11O17S6 |
| Molecular Weight | 2290.38 g/mol |
| Exact Mass | 2287.44 |
| IUPAC Name | N-[4-(benzenesulfonyl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide;N-[4-(benzenesulfonyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;methane;N-[4-(4-methylphenyl)sulfonylphenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide |
| SMILES | C.CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ncccc4S(C)(=O)=O)cc3)cc2)cc1.O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1.O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc(-c2ncccc2Cl)cc1 |
| InChI | InChI=1S/C26H22N2O5S2.C25H17F3N2O3S.C24H17ClN2O3S.C21H18F3N3O3S.C19H15ClN2O3S.CH4/c1-18-5-13-22(14-6-18)35(32,33)23-15-11-21(12-16-23)28-26(29)20-9-7-19(8-10-20)25-24(34(2,30)31)4-3-17-27-25;26-25(27,28)22-7-4-16-29-23(22)17-8-10-18(11-9-17)24(31)30-19-12-14-21(15-13-19)34(32,33)20-5-2-1-3-6-20;25-22-7-4-16-26-23(22)17-8-10-18(11-9-17)24(28)27-19-12-14-21(15-13-19)31(29,30)20-5-2-1-3-6-20;1-27(2)31(29,30)17-11-9-16(10-12-17)26-20(28)15-7-5-14(6-8-15)19-18(21(22,23)24)4-3-13-25-19;1-26(24,25)16-10-8-15(9-11-16)22-19(23)14-6-4-13(5-7-14)18-17(20)3-2-12-21-18;/h3-17H,1-2H3,(H,28,29);1-16H,(H,30,31);1-16H,(H,27,28);3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,22,23);1H4 |
| InChIKey | KNBBOCYWPFLFTF-UHFFFAOYSA-N |
| XLogP | 24.85 |
| TPSA | 418.03 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 158 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2290.38 |
| LogP ≤ 5 | 24.85 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 22 |