C195H177Cl3F10N32O29S7 — CID 159633227
N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone (PubChem CID 159633227) has the molecular formula C195H177Cl3F10N32O29S7 and a molecular weight of 3953.56 g/mol. Its IUPAC name is N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone.
| Compound Name | N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone |
|---|---|
| PubChem CID | 159633227 |
| Molecular Formula | C195H177Cl3F10N32O29S7 |
| Molecular Weight | 3953.56 g/mol |
| Exact Mass | 3949.03 |
| IUPAC Name | N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone |
| SMILES | COc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3cncc(Cl)c3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cncc(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cnccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12 |
| InChI | InChI=1S/2C29H27F3N4O3S.C28H27ClN4O3S.C28H24F3N5O5S.2C27H24ClN5O5S.C27H24FN5O5S/c1-20-17-22(9-10-23(20)19-40(38,39)26-8-2-5-21-6-3-12-34-27(21)26)28(37)36-15-13-35(14-16-36)18-25-24(29(30,31)32)7-4-11-33-25;1-20-16-22(7-8-23(20)19-40(38,39)26-6-2-4-21-5-3-10-34-27(21)26)28(37)36-14-12-35(13-15-36)18-24-17-33-11-9-25(24)29(30,31)32;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26;1-41-23-16-19(7-8-22(23)34-42(39,40)24-6-2-4-18-5-3-10-33-25(18)24)26(37)35-12-14-36(15-13-35)27(38)20-17-32-11-9-21(20)28(29,30)31;1-38-23-16-19(26(34)32-12-14-33(15-13-32)27(35)22-10-8-20(28)17-30-22)7-9-21(23)31-39(36,37)24-6-2-4-18-5-3-11-29-25(18)24;1-38-23-15-19(26(34)32-10-12-33(13-11-32)27(35)20-14-21(28)17-29-16-20)7-8-22(23)31-39(36,37)24-6-2-4-18-5-3-9-30-25(18)24;1-38-23-16-19(26(34)32-12-14-33(15-13-32)27(35)22-10-8-20(28)17-30-22)7-9-21(23)31-39(36,37)24-6-2-4-18-5-3-11-29-25(18)24/h2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3;2-11,16-17,34H,12-15H2,1H3;2-11,16-17,31H,12-15H2,1H3;2-9,14-17,31H,10-13H2,1H3;2-11,16-17,31H,12-15H2,1H3 |
| InChIKey | MPKCJQMYPVWGLS-UHFFFAOYSA-N |
| XLogP | 28.92 |
| TPSA | 737.61 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 276 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3953.56 |
| LogP ≤ 5 | 28.92 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 46 |