C111H109Cl2F4N15O19S7 — CID 159952003
4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide;methane;4-(3-methylsulfonyl-2-pyridinyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;N-(4-piperidin-1-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 159952003) has the molecular formula C111H109Cl2F4N15O19S7 and a molecular weight of 2328.55 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide;methane;4-(3-methylsulfonyl-2-pyridinyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;N-(4-piperidin-1-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
| Compound Name | 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide;methane;4-(3-methylsulfonyl-2-pyridinyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;N-(4-piperidin-1-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide |
|---|---|
| PubChem CID | 159952003 |
| Molecular Formula | C111H109Cl2F4N15O19S7 |
| Molecular Weight | 2328.55 g/mol |
| Exact Mass | 2325.54 |
| IUPAC Name | 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide;methane;4-(3-methylsulfonyl-2-pyridinyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;N-(4-piperidin-1-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide |
| SMILES | C.C.CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3S(C)(=O)=O)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)nc2)cc1.CS(=O)(=O)c1cccnc1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(-c2ncccc2Cl)c(F)c1.O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1 |
| InChI | InChI=1S/C24H22F3N3O3S.C24H25N3O5S2.C22H19ClFN3O3S.C21H21N3O5S2.C18H14ClN3O3S.2CH4/c25-24(26,27)21-5-4-14-28-22(21)17-6-8-18(9-7-17)23(31)29-19-10-12-20(13-11-19)34(32,33)30-15-2-1-3-16-30;1-33(29,30)22-6-5-15-25-23(22)18-7-9-19(10-8-18)24(28)26-20-11-13-21(14-12-20)34(31,32)27-16-3-2-4-17-27;23-19-4-3-11-25-21(19)18-10-5-15(14-20(18)24)22(28)26-16-6-8-17(9-7-16)31(29,30)27-12-1-2-13-27;1-24(2)31(28,29)18-12-10-17(11-13-18)23-21(25)16-8-6-15(7-9-16)20-19(30(3,26)27)5-4-14-22-20;1-26(24,25)14-7-5-13(6-8-14)22-18(23)12-4-9-16(21-11-12)17-15(19)3-2-10-20-17;;/h4-14H,1-3,15-16H2,(H,29,31);5-15H,2-4,16-17H2,1H3,(H,26,28);3-11,14H,1-2,12-13H2,(H,26,28);4-14H,1-3H3,(H,23,25);2-11H,1H3,(H,22,23);2*1H4 |
| InChIKey | OCFUKOZLAUDVPB-UHFFFAOYSA-N |
| XLogP | 20.73 |
| TPSA | 474.78 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 158 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2328.55 |
| LogP ≤ 5 | 20.73 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 25 |