C128H128BrCl4N23O30S7 — CID 162165776
5-[5-[3-bromo-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-triazole;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]furan-2-yl]-4H-triazole;1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2-(3-morpholin-4-ylpropylsulfonyl)ethanone;4-[3-[5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-pyrazol-3-yl]propyl]morpholine;1-[5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]tetrazol-2-yl]ethyl 2,2-dimethylpropanoate;5-[3-methoxy-5-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]furan-2-yl]-4H-triazole (PubChem CID 162165776) has the molecular formula C128H128BrCl4N23O30S7 and a molecular weight of 2914.75 g/mol. Its IUPAC name is 5-[5-[3-bromo-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-triazole;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]furan-2-yl]-4H-triazole;1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2-(3-morpholin-4-ylpropylsulfonyl)ethanone;4-[3-[5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-pyrazol-3-yl]propyl]morpholine;1-[5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]tetrazol-2-yl]ethyl 2,2-dimethylpropanoate;5-[3-methoxy-5-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]furan-2-yl]-4H-triazole.
| Compound Name | 5-[5-[3-bromo-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-triazole;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]furan-2-yl]-4H-triazole;1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2-(3-morpholin-4-ylpropylsulfonyl)ethanone;4-[3-[5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-pyrazol-3-yl]propyl]morpholine;1-[5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]tetrazol-2-yl]ethyl 2,2-dimethylpropanoate;5-[3-methoxy-5-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]furan-2-yl]-4H-triazole |
|---|---|
| PubChem CID | 162165776 |
| Molecular Formula | C128H128BrCl4N23O30S7 |
| Molecular Weight | 2914.75 g/mol |
| Exact Mass | 2909.52 |
| IUPAC Name | 5-[5-[3-bromo-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-triazole;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]furan-2-yl]-4H-triazole;1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2-(3-morpholin-4-ylpropylsulfonyl)ethanone;4-[3-[5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-pyrazol-3-yl]propyl]morpholine;1-[5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]tetrazol-2-yl]ethyl 2,2-dimethylpropanoate;5-[3-methoxy-5-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]furan-2-yl]-4H-triazole |
| SMILES | COc1cc(-c2c(Br)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C1=NN=NC1.COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1-c1nnn(C(C)OC(=O)C(C)(C)C)n1.COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C(=O)CS(=O)(=O)CCCN1CCOCC1.COc1cc(-c2c(Cl)ccn2S(=O)(=O)c2ccc(C)cc2)oc1C1=NN=C(CCCN2CCOCC2)C1.COc1cc(-c2cccn2S(=O)(=O)c2ccc(C)cc2)oc1C1=NN=NC1.Cc1ccc(S(=O)(=O)n2ccc(Cl)c2-c2ccc(C3=NN=NC3)o2)cc1 |
| InChI | InChI=1S/C26H29ClN4O5S.C25H29ClN2O8S2.C24H26ClN5O6S.C18H15BrN4O4S.C18H16N4O4S.C17H13ClN4O3S/c1-18-5-7-20(8-6-18)37(32,33)31-11-9-21(27)25(31)23-17-24(34-2)26(36-23)22-16-19(28-29-22)4-3-10-30-12-14-35-15-13-30;1-18-4-6-19(7-5-18)38(32,33)28-10-8-20(26)24(28)22-16-23(34-2)25(36-22)21(29)17-37(30,31)15-3-9-27-11-13-35-14-12-27;1-14-7-9-16(10-8-14)37(32,33)29-12-11-17(25)20(29)18-13-19(34-6)21(36-18)22-26-28-30(27-22)15(2)35-23(31)24(3,4)5;1-11-3-5-12(6-4-11)28(24,25)23-8-7-13(19)17(23)15-9-16(26-2)18(27-15)14-10-20-22-21-14;1-12-5-7-13(8-6-12)27(23,24)22-9-3-4-15(22)16-10-17(25-2)18(26-16)14-11-19-21-20-14;1-11-2-4-12(5-3-11)26(23,24)22-9-8-13(18)17(22)16-7-6-15(25-16)14-10-19-21-20-14/h5-9,11,17H,3-4,10,12-16H2,1-2H3;4-8,10,16H,3,9,11-15,17H2,1-2H3;7-13,15H,1-6H3;3-9H,10H2,1-2H3;3-10H,11H2,1-2H3;2-9H,10H2,1H3 |
| InChIKey | ZNCJELTUVHVPCD-UHFFFAOYSA-N |
| XLogP | 24.43 |
| TPSA | 641.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 193 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2914.75 |
| LogP ≤ 5 | 24.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 53 |