C82H69BBr2Cl6F5N15O10S4 — CID 165079347
2-amino-N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide;2-bromo-N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide;6-bromo-5-chloropyridin-2-amine;5-chloro-6-(5-fluoro-2-methylphenyl)pyridin-2-amine;N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylpyridine-4-sulfonamide;(5-fluoro-2-methylphenyl)boronic acid;2-methylpyridine-4-sulfonyl chloride (PubChem CID 165079347) has the molecular formula C82H69BBr2Cl6F5N15O10S4 and a molecular weight of 2031.14 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide;2-bromo-N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide;6-bromo-5-chloropyridin-2-amine;5-chloro-6-(5-fluoro-2-methylphenyl)pyridin-2-amine;N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylpyridine-4-sulfonamide;(5-fluoro-2-methylphenyl)boronic acid;2-methylpyridine-4-sulfonyl chloride.
| Compound Name | 2-amino-N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide;2-bromo-N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide;6-bromo-5-chloropyridin-2-amine;5-chloro-6-(5-fluoro-2-methylphenyl)pyridin-2-amine;N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylpyridine-4-sulfonamide;(5-fluoro-2-methylphenyl)boronic acid;2-methylpyridine-4-sulfonyl chloride |
|---|---|
| PubChem CID | 165079347 |
| Molecular Formula | C82H69BBr2Cl6F5N15O10S4 |
| Molecular Weight | 2031.14 g/mol |
| Exact Mass | 2025.07 |
| IUPAC Name | 2-amino-N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide;2-bromo-N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide;6-bromo-5-chloropyridin-2-amine;5-chloro-6-(5-fluoro-2-methylphenyl)pyridin-2-amine;N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylpyridine-4-sulfonamide;(5-fluoro-2-methylphenyl)boronic acid;2-methylpyridine-4-sulfonyl chloride |
| SMILES | Cc1cc(S(=O)(=O)Cl)ccn1.Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(-c3cc(F)ccc3C)n2)ccn1.Cc1ccc(F)cc1-c1nc(N)ccc1Cl.Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2ccnc(Br)c2)ccc1Cl.Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2ccnc(N)c2)ccc1Cl.Cc1ccc(F)cc1B(O)O.Nc1ccc(Cl)c(Br)n1 |
| InChI | InChI=1S/C18H15ClFN3O2S.C17H12BrClFN3O2S.C17H14ClFN4O2S.C12H10ClFN2.C7H8BFO2.C6H6ClNO2S.C5H4BrClN2/c1-11-3-4-13(20)10-15(11)18-16(19)5-6-17(22-18)23-26(24,25)14-7-8-21-12(2)9-14;1-10-2-3-11(20)8-13(10)17-14(19)4-5-16(22-17)23-26(24,25)12-6-7-21-15(18)9-12;1-10-2-3-11(19)8-13(10)17-14(18)4-5-16(22-17)23-26(24,25)12-6-7-21-15(20)9-12;1-7-2-3-8(14)6-9(7)12-10(13)4-5-11(15)16-12;1-5-2-3-6(9)4-7(5)8(10)11;1-5-4-6(2-3-8-5)11(7,9)10;6-5-3(7)1-2-4(8)9-5/h3-10H,1-2H3,(H,22,23);2-9H,1H3,(H,22,23);2-9H,1H3,(H2,20,21)(H,22,23);2-6H,1H3,(H2,15,16);2-4,10-11H,1H3;2-4H,1H3;1-2H,(H2,8,9) |
| InChIKey | UVXYESRWWIETSV-UHFFFAOYSA-N |
| XLogP | 19.43 |
| TPSA | 407.18 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 125 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2031.14 |
| LogP ≤ 5 | 19.43 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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