C104H111ClF4N28O30S3 — CID 157274551
1-(benzenesulfonyl)-N-hydroxyindole-3-carboxamide;tert-butyl N-[2-(hydroxyamino)-1-(oxan-4-yl)-2-oxoethyl]carbamate;2-chloro-N-hydroxy-4-methylbenzamide;1-(4-fluorophenyl)-N-hydroxy-5-methylpyrazole-4-carboxamide;N-hydroxy-2-(1H-imidazol-2-yl)acetamide;N-hydroxy-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide;N-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;N-hydroxy-2-phenylpyrazole-3-carboxamide;N-hydroxypyrazine-2-carboxamide;N-hydroxy-3-pyrrol-1-ylthiophene-2-carboxamide;N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 157274551) has the molecular formula C104H111ClF4N28O30S3 and a molecular weight of 2440.84 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-hydroxyindole-3-carboxamide;tert-butyl N-[2-(hydroxyamino)-1-(oxan-4-yl)-2-oxoethyl]carbamate;2-chloro-N-hydroxy-4-methylbenzamide;1-(4-fluorophenyl)-N-hydroxy-5-methylpyrazole-4-carboxamide;N-hydroxy-2-(1H-imidazol-2-yl)acetamide;N-hydroxy-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide;N-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;N-hydroxy-2-phenylpyrazole-3-carboxamide;N-hydroxypyrazine-2-carboxamide;N-hydroxy-3-pyrrol-1-ylthiophene-2-carboxamide;N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
| Compound Name | 1-(benzenesulfonyl)-N-hydroxyindole-3-carboxamide;tert-butyl N-[2-(hydroxyamino)-1-(oxan-4-yl)-2-oxoethyl]carbamate;2-chloro-N-hydroxy-4-methylbenzamide;1-(4-fluorophenyl)-N-hydroxy-5-methylpyrazole-4-carboxamide;N-hydroxy-2-(1H-imidazol-2-yl)acetamide;N-hydroxy-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide;N-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;N-hydroxy-2-phenylpyrazole-3-carboxamide;N-hydroxypyrazine-2-carboxamide;N-hydroxy-3-pyrrol-1-ylthiophene-2-carboxamide;N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide |
|---|---|
| PubChem CID | 157274551 |
| Molecular Formula | C104H111ClF4N28O30S3 |
| Molecular Weight | 2440.84 g/mol |
| Exact Mass | 2438.68 |
| IUPAC Name | 1-(benzenesulfonyl)-N-hydroxyindole-3-carboxamide;tert-butyl N-[2-(hydroxyamino)-1-(oxan-4-yl)-2-oxoethyl]carbamate;2-chloro-N-hydroxy-4-methylbenzamide;1-(4-fluorophenyl)-N-hydroxy-5-methylpyrazole-4-carboxamide;N-hydroxy-2-(1H-imidazol-2-yl)acetamide;N-hydroxy-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide;N-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;N-hydroxy-2-phenylpyrazole-3-carboxamide;N-hydroxypyrazine-2-carboxamide;N-hydroxy-3-pyrrol-1-ylthiophene-2-carboxamide;N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide |
| SMILES | CC(C)(C)OC(=O)NC(C(=O)NO)C1CCOCC1.COc1ccc(-c2conc2C(=O)NO)cc1.Cc1c(C(=O)NO)cnn1-c1ccc(F)cc1.Cc1ccc(C(=O)NO)c(Cl)c1.O=C(Cc1ncc[nH]1)NO.O=C(NO)C1CCN(c2nccc(C(F)(F)F)n2)CC1.O=C(NO)c1ccnn1-c1ccccc1.O=C(NO)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.O=C(NO)c1cnc2n(c1=O)CCS2.O=C(NO)c1cnccn1.O=C(NO)c1sccc1-n1cccc1 |
| InChI | InChI=1S/C15H12N2O4S.C12H22N2O5.C11H13F3N4O2.C11H10FN3O2.C11H10N2O4.C10H9N3O2.C9H8N2O2S.C8H8ClNO2.C7H7N3O3S.C5H5N3O2.C5H7N3O2/c18-15(16-19)13-10-17(14-9-5-4-8-12(13)14)22(20,21)11-6-2-1-3-7-11;1-12(2,3)19-11(16)13-9(10(15)14-17)8-4-6-18-7-5-8;12-11(13,14)8-1-4-15-10(16-8)18-5-2-7(3-6-18)9(19)17-20;1-7-10(11(16)14-17)6-13-15(7)9-4-2-8(12)3-5-9;1-16-8-4-2-7(3-5-8)9-6-17-13-10(9)11(14)12-15;14-10(12-15)9-6-7-11-13(9)8-4-2-1-3-5-8;12-9(10-13)8-7(3-6-14-8)11-4-1-2-5-11;1-5-2-3-6(7(9)4-5)8(11)10-12;11-5(9-13)4-3-8-7-10(6(4)12)1-2-14-7;9-5(8-10)4-3-6-1-2-7-4;9-5(8-10)3-4-6-1-2-7-4/h1-10,19H,(H,16,18);8-9,17H,4-7H2,1-3H3,(H,13,16)(H,14,15);1,4,7,20H,2-3,5-6H2,(H,17,19);2-6,17H,1H3,(H,14,16);2-6,15H,1H3,(H,12,14);1-7,15H,(H,12,14);1-6,13H,(H,10,12);2-4,12H,1H3,(H,10,11);3,13H,1-2H2,(H,9,11);1-3,10H,(H,8,9);1-2,10H,3H2,(H,6,7)(H,8,9) |
| InChIKey | AYYAHPOCXFFGQK-UHFFFAOYSA-N |
| XLogP | 9.87 |
| TPSA | 823.46 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2440.84 |
| LogP ≤ 5 | 9.87 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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