C135H96Cl7F11N12O24S12 — CID 159763165
3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one (PubChem CID 159763165) has the molecular formula C135H96Cl7F11N12O24S12 and a molecular weight of 3112.27 g/mol. Its IUPAC name is 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one.
| Compound Name | 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one |
|---|---|
| PubChem CID | 159763165 |
| Molecular Formula | C135H96Cl7F11N12O24S12 |
| Molecular Weight | 3112.27 g/mol |
| Exact Mass | 3106.10 |
| IUPAC Name | 3-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methylquinazolin-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methylquinazolin-4-one |
| SMILES | Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)cnc2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)cnc2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)cnc2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C)cnc2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)cnc2c1 |
| InChI | InChI=1S/C23H15ClF4N2O4S2.C23H16ClF3N2O4S2.C23H19ClN2O4S2.C22H15Cl2FN2O4S2.C22H15ClF2N2O4S2.C22H16ClFN2O4S2/c1-12-2-3-15-18(6-12)29-11-30(22(15)32)21-16(23(26,27)28)8-13(9-17(21)25)7-14(31)10-36(33,34)20-5-4-19(24)35-20;1-13-2-4-16-18(8-13)28-12-29(22(16)31)19-5-3-14(10-17(19)23(25,26)27)9-15(30)11-35(32,33)21-7-6-20(24)34-21;1-14-3-5-18-19(9-14)25-13-26(23(18)28)20-6-4-16(10-15(20)2)11-17(27)12-32(29,30)22-8-7-21(24)31-22;1-12-2-3-15-18(6-12)26-11-27(22(15)29)21-16(23)8-13(9-17(21)25)7-14(28)10-33(30,31)20-5-4-19(24)32-20;1-12-2-3-15-18(6-12)26-11-27(22(15)29)21-16(24)8-13(9-17(21)25)7-14(28)10-33(30,31)20-5-4-19(23)32-20;1-13-2-4-16-18(8-13)25-12-26(22(16)28)19-5-3-14(10-17(19)24)9-15(27)11-32(29,30)21-7-6-20(23)31-21/h2-6,8-9,11H,7,10H2,1H3;2-8,10,12H,9,11H2,1H3;3-10,13H,11-12H2,1-2H3;2*2-6,8-9,11H,7,10H2,1H3;2-8,10,12H,9,11H2,1H3 |
| InChIKey | NFDSSDNTLMMHFG-UHFFFAOYSA-N |
| XLogP | 27.66 |
| TPSA | 516.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3112.27 |
| LogP ≤ 5 | 27.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 42 |