C105H136ClFN14O11S4 — CID 159520221
3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide (PubChem CID 159520221) has the molecular formula C105H136ClFN14O11S4 and a molecular weight of 1953.05 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide.
| Compound Name | 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide |
|---|---|
| PubChem CID | 159520221 |
| Molecular Formula | C105H136ClFN14O11S4 |
| Molecular Weight | 1953.05 g/mol |
| Exact Mass | 1950.91 |
| IUPAC Name | 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide |
| SMILES | COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1CS(C)(=O)=O.Cc1ncc(-c2ccc(NS(C)(=O)=O)cc2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)c(Cl)c2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)c(F)c2)nc1C(C)(C)C.Cc1ncc(-c2cccc(CS(=O)(=O)C3CC3)c2)nc1C(C)(C)C.Cc1ncc(-c2cncc(CS(C)(=O)=O)c2)nc1C(C)(C)C |
| InChI | InChI=1S/C19H24N2O2S.C18H23ClN2O.C18H23FN2O.C18H24N2O3S.2C16H21N3O2S/c1-13-18(19(2,3)4)21-17(11-20-13)15-7-5-6-14(10-15)12-24(22,23)16-8-9-16;2*1-11(2)22-16-8-7-13(9-14(16)19)15-10-20-12(3)17(21-15)18(4,5)6;1-12-17(18(2,3)4)20-15(10-19-12)13-7-8-16(23-5)14(9-13)11-24(6,21)22;1-11-15(16(2,3)4)19-14(9-18-11)13-6-12(7-17-8-13)10-22(5,20)21;1-11-15(16(2,3)4)18-14(10-17-11)12-6-8-13(9-7-12)19-22(5,20)21/h5-7,10-11,16H,8-9,12H2,1-4H3;2*7-11H,1-6H3;7-10H,11H2,1-6H3;6-9H,10H2,1-5H3;6-10,19H,1-5H3 |
| InChIKey | MBSFTAHHFRLBDN-UHFFFAOYSA-N |
| XLogP | 22.81 |
| TPSA | 343.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 136 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1953.05 |
| LogP ≤ 5 | 22.81 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 24 |