C195H183Cl3F6N28O34S7 — CID 158607734
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methoxy-4-[4-(2-methoxypyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-(2-methoxypyridine-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[2-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;oxolan-3-yl 4-[3-methoxy-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate (PubChem CID 158607734) has the molecular formula C195H183Cl3F6N28O34S7 and a molecular weight of 3907.59 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methoxy-4-[4-(2-methoxypyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-(2-methoxypyridine-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[2-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;oxolan-3-yl 4-[3-methoxy-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate.
| Compound Name | [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methoxy-4-[4-(2-methoxypyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-(2-methoxypyridine-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[2-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;oxolan-3-yl 4-[3-methoxy-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate |
|---|---|
| PubChem CID | 158607734 |
| Molecular Formula | C195H183Cl3F6N28O34S7 |
| Molecular Weight | 3907.59 g/mol |
| Exact Mass | 3903.05 |
| IUPAC Name | [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methoxy-4-[4-(2-methoxypyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-(2-methoxypyridine-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[2-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;oxolan-3-yl 4-[3-methoxy-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate |
| SMILES | COc1cc(C(=O)N2CCN(C(=O)OC3CCOC3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)c(OC)c3)CC2)ccn1.COc1cc(C(=O)N2CCN(C(=O)c3cccnc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3cccnc3OC)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(F)c2)CC1 |
| InChI | InChI=1S/C29H27Cl2N3O4S.C28H25ClFN3O3S.C28H24F3N5O5S.C28H25F2N3O3S.2C28H27N5O6S.C26H28N4O7S/c1-38-26-16-20(19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27)7-10-24(26)29(35)34-14-12-33(13-15-34)18-22-8-9-23(30)17-25(22)31;29-24-7-1-4-20(16-24)18-32-12-14-33(15-13-32)28(34)22-9-10-23(25(30)17-22)19-37(35,36)26-8-2-5-21-6-3-11-31-27(21)26;1-41-22-17-19(9-10-21(22)34-42(39,40)23-8-2-5-18-6-3-11-32-24(18)23)26(37)35-13-15-36(16-14-35)27(38)20-7-4-12-33-25(20)28(29,30)31;29-24-7-1-4-20(16-24)18-32-12-14-33(15-13-32)28(34)22-9-10-23(25(30)17-22)19-37(35,36)26-8-2-5-21-6-3-11-31-27(21)26;1-38-23-18-20(10-11-22(23)31-40(36,37)24-9-3-6-19-7-4-12-29-25(19)24)27(34)32-14-16-33(17-15-32)28(35)21-8-5-13-30-26(21)39-2;1-38-23-17-20(8-9-22(23)31-40(36,37)24-7-3-5-19-6-4-11-30-26(19)24)27(34)32-13-15-33(16-14-32)28(35)21-10-12-29-25(18-21)39-2;1-35-22-16-19(25(31)29-11-13-30(14-12-29)26(32)37-20-9-15-36-17-20)7-8-21(22)28-38(33,34)23-6-2-4-18-5-3-10-27-24(18)23/h2-11,16-17H,12-15,18-19H2,1H3;1-11,16-17H,12-15,18-19H2;2-12,17,34H,13-16H2,1H3;1-11,16-17H,12-15,18-19H2;3-13,18,31H,14-17H2,1-2H3;3-12,17-18,31H,13-16H2,1-2H3;2-8,10,16,20,28H,9,11-15,17H2,1H3 |
| InChIKey | HWLDRDXYICVMPQ-UHFFFAOYSA-N |
| XLogP | 27.76 |
| TPSA | 732.20 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 273 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3907.59 |
| LogP ≤ 5 | 27.76 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 47 |