C87H78N36O18S7 — CID 159495327
2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine (PubChem CID 159495327) has the molecular formula C87H78N36O18S7 and a molecular weight of 2140.28 g/mol. Its IUPAC name is 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine.
| Compound Name | 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine |
|---|---|
| PubChem CID | 159495327 |
| Molecular Formula | C87H78N36O18S7 |
| Molecular Weight | 2140.28 g/mol |
| Exact Mass | 2138.43 |
| IUPAC Name | 2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine |
| SMILES | CS(=O)(=O)Nc1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CS(=O)(=O)c1nccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3c(c2)OCC(=O)C3)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccc3cn[nH]c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2cccc(C(N)=O)c2)c1-c1nn[nH]n1.CS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1 |
| InChI | InChI=1S/C16H17N7O3S.C16H13N5O4S.C14H11N7O2S.C14H14N6O4S2.C14H12N6O3S.C13H11N5O2S/c1-27(24,25)16-14(15-19-21-22-20-15)12(4-5-17-16)11-2-3-13(18-10-11)23-6-8-26-9-7-23;1-26(23,24)16-14(15-18-20-21-19-15)12(4-5-17-16)9-2-3-10-6-11(22)8-25-13(10)7-9;1-24(22,23)14-12(13-18-20-21-19-13)10(4-5-15-14)8-2-3-9-7-16-17-11(9)6-8;1-25(21,22)14-12(13-16-19-20-17-13)11(7-8-15-14)9-3-5-10(6-4-9)18-26(2,23)24;1-24(22,23)14-11(13-17-19-20-18-13)10(5-6-16-14)8-3-2-4-9(7-8)12(15)21;1-21(19,20)13-11(12-15-17-18-16-12)10(7-8-14-13)9-5-3-2-4-6-9/h2-5,10H,6-9H2,1H3,(H,19,20,21,22);2-5,7H,6,8H2,1H3,(H,18,19,20,21);2-7H,1H3,(H,16,17)(H,18,19,20,21);3-8,18H,1-2H3,(H,16,17,19,20);2-7H,1H3,(H2,15,21)(H,17,18,19,20);2-8H,1H3,(H,15,16,17,18) |
| InChIKey | LYSAQVJGCMIRRU-UHFFFAOYSA-N |
| XLogP | 5.08 |
| TPSA | 778.54 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2140.28 |
| LogP ≤ 5 | 5.08 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 45 |