C97H102F6N18O10S5 — CID 157173167
N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 157173167) has the molecular formula C97H102F6N18O10S5 and a molecular weight of 1954.32 g/mol. Its IUPAC name is N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide.
| Compound Name | N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide |
|---|---|
| PubChem CID | 157173167 |
| Molecular Formula | C97H102F6N18O10S5 |
| Molecular Weight | 1954.32 g/mol |
| Exact Mass | 1952.65 |
| IUPAC Name | N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide |
| SMILES | CCS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2cn(C(C)C)cn2)c1.CCS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2cn(C3CC3)cn2)c1.CCS(=O)(=O)c1ccc(N[C@@H]2CCCc3ccccc32)c(-c2cn(C)cn2)c1.Cn1cnc(-c2cc(S(C)(=O)=O)ccc2Nc2cc(C(F)(F)F)ccn2)c1.Cn1cnc(-c2cc(S(N)(=O)=O)ccc2Nc2cc(C(F)(F)F)ccn2)c1 |
| InChI | InChI=1S/C22H25N3O2S.C21H23N3O2S.C21H25N3O2S.C17H15F3N4O2S.C16H14F3N5O2S/c1-3-28(26,27)17-11-12-21(19(13-17)22-14-25(2)15-23-22)24-20-10-6-8-16-7-4-5-9-18(16)20;1-2-27(25,26)18-10-11-20(22-13-16-6-4-3-5-7-16)19(12-18)21-14-24(15-23-21)17-8-9-17;1-4-27(25,26)18-10-11-20(22-13-17-8-6-5-7-9-17)19(12-18)21-14-24(15-23-21)16(2)3;1-24-9-15(22-10-24)13-8-12(27(2,25)26)3-4-14(13)23-16-7-11(5-6-21-16)17(18,19)20;1-24-8-14(22-9-24)12-7-11(27(20,25)26)2-3-13(12)23-15-6-10(4-5-21-15)16(17,18)19/h4-5,7,9,11-15,20,24H,3,6,8,10H2,1-2H3;3-7,10-12,14-15,17,22H,2,8-9,13H2,1H3;5-12,14-16,22H,4,13H2,1-3H3;3-10H,1-2H3,(H,21,23);2-9H,1H3,(H,21,23)(H2,20,25,26)/t20-;;;;/m1..../s1 |
| InChIKey | ANSAQOMWKGVROY-YFDXKITBSA-N |
| XLogP | 19.74 |
| TPSA | 371.75 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1954.32 |
| LogP ≤ 5 | 19.74 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 27 |