C114H128N20O12S6 — CID 157057525
4-(benzylamino)-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-benzyl-2-(1-methylimidazol-4-yl)-4-methylsulfonylaniline;N-ethyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-phenylbutyl]benzenesulfonamide (PubChem CID 157057525) has the molecular formula C114H128N20O12S6 and a molecular weight of 2162.81 g/mol. Its IUPAC name is 4-(benzylamino)-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-benzyl-2-(1-methylimidazol-4-yl)-4-methylsulfonylaniline;N-ethyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-phenylbutyl]benzenesulfonamide.
| Compound Name | 4-(benzylamino)-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-benzyl-2-(1-methylimidazol-4-yl)-4-methylsulfonylaniline;N-ethyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-phenylbutyl]benzenesulfonamide |
|---|---|
| PubChem CID | 157057525 |
| Molecular Formula | C114H128N20O12S6 |
| Molecular Weight | 2162.81 g/mol |
| Exact Mass | 2160.83 |
| IUPAC Name | 4-(benzylamino)-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-benzyl-2-(1-methylimidazol-4-yl)-4-methylsulfonylaniline;N-ethyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-phenylbutyl]benzenesulfonamide |
| SMILES | CC(C)NS(=O)(=O)c1ccc(CCc2ccccc2)c(-c2cn(C)cn2)c1.CCNS(=O)(=O)c1ccc(CCc2ccccc2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccccn2)c(-c2cn(C)cn2)c1.CC[C@@H](Cc1ccc(S(=O)(=O)NC)cc1-c1cn(C)cn1)c1ccccc1.Cn1cnc(-c2cc(S(C)(=O)=O)ccc2NCc2ccccc2)c1.Cn1cnc(-c2cc(S(N)(=O)=O)ccc2NCc2ccccc2)c1 |
| InChI | InChI=1S/2C21H25N3O2S.C20H23N3O2S.C18H19N3O2S.2C17H18N4O2S/c1-16(2)23-27(25,26)19-12-11-18(10-9-17-7-5-4-6-8-17)20(13-19)21-14-24(3)15-22-21;1-4-16(17-8-6-5-7-9-17)12-18-10-11-19(27(25,26)22-2)13-20(18)21-14-24(3)15-23-21;1-3-22-26(24,25)18-12-11-17(10-9-16-7-5-4-6-8-16)19(13-18)20-14-23(2)15-21-20;1-21-12-18(20-13-21)16-10-15(24(2,22)23)8-9-17(16)19-11-14-6-4-3-5-7-14;1-21-11-17(20-12-21)15-9-14(24(18,22)23)7-8-16(15)19-10-13-5-3-2-4-6-13;1-3-24(22,23)13-7-8-15(20-17-6-4-5-9-18-17)14(10-13)16-11-21(2)12-19-16/h4-8,11-16,23H,9-10H2,1-3H3;5-11,13-16,22H,4,12H2,1-3H3;4-8,11-15,22H,3,9-10H2,1-2H3;3-10,12-13,19H,11H2,1-2H3;2-9,11-12,19H,10H2,1H3,(H2,18,22,23);4-12H,3H2,1-2H3,(H,18,20)/t;16-;;;;/m.0..../s1 |
| InChIKey | AAXXDRFAOJREHX-NKLKMKEXSA-N |
| XLogP | 18.93 |
| TPSA | 422.85 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2162.81 |
| LogP ≤ 5 | 18.93 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |