C123H164N18O15S7 — CID 157143026
N-tert-butyl-3-(6-tert-butyl-5-methylpyrazin-2-yl)benzenesulfonamide;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[3-(methylsulfonylmethyl)phenyl]pyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;1-[3-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]-N,N-dimethylmethanesulfonamide;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide (PubChem CID 157143026) has the molecular formula C123H164N18O15S7 and a molecular weight of 2359.24 g/mol. Its IUPAC name is N-tert-butyl-3-(6-tert-butyl-5-methylpyrazin-2-yl)benzenesulfonamide;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[3-(methylsulfonylmethyl)phenyl]pyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;1-[3-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]-N,N-dimethylmethanesulfonamide;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide.
| Compound Name | N-tert-butyl-3-(6-tert-butyl-5-methylpyrazin-2-yl)benzenesulfonamide;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[3-(methylsulfonylmethyl)phenyl]pyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;1-[3-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]-N,N-dimethylmethanesulfonamide;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide |
|---|---|
| PubChem CID | 157143026 |
| Molecular Formula | C123H164N18O15S7 |
| Molecular Weight | 2359.24 g/mol |
| Exact Mass | 2357.07 |
| IUPAC Name | N-tert-butyl-3-(6-tert-butyl-5-methylpyrazin-2-yl)benzenesulfonamide;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-[3-(methylsulfonylmethyl)phenyl]pyrazine;3-tert-butyl-2-methyl-5-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine;1-[3-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]-N,N-dimethylmethanesulfonamide;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(-c2cccc(CS(=O)(=O)C3CC3)c2)nc1C(C)(C)C.Cc1ncc(-c2cccc(CS(=O)(=O)N(C)C)c2)nc1C(C)(C)C.Cc1ncc(-c2cccc(CS(C)(=O)=O)c2)nc1C(C)(C)C.Cc1ncc(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)nc1C(C)(C)C.Cc1ncc(-c2cncc(CS(C)(=O)=O)c2)nc1C(C)(C)C |
| InChI | InChI=1S/C19H27N3O2S.C19H24N2O2S.C18H25N3O2S.C18H24N2O3S.C17H22N2O2S.2C16H21N3O2S/c1-13-17(18(2,3)4)21-16(12-20-13)14-9-8-10-15(11-14)25(23,24)22-19(5,6)7;1-13-18(19(2,3)4)21-17(11-20-13)15-7-5-6-14(10-15)12-24(22,23)16-8-9-16;1-13-17(18(2,3)4)20-16(11-19-13)15-9-7-8-14(10-15)12-24(22,23)21(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;1-12-16(17(2,3)4)19-15(10-18-12)14-8-6-7-13(9-14)11-22(5,20)21;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/h8-12,22H,1-7H3;5-7,10-11,16H,8-9,12H2,1-4H3;7-11H,12H2,1-6H3;7-10H,11H2,1-6H3;6-10H,11H2,1-5H3;6-9H,10H2,1-5H3;6-10,19H,1-5H3 |
| InChIKey | AKJYASLPKHQDDR-UHFFFAOYSA-N |
| XLogP | 23.20 |
| TPSA | 468.86 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2359.24 |
| LogP ≤ 5 | 23.20 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 30 |