AC1L6PH5
4-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 4-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]acetyl}amino)benzenesulfonyl fluoride(1:1)|4-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenox|4-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride|4-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride,ethanesulfonic acid|4-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid|4-[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethylsulfamoyl]benzenesulfonyl fluoride|Ethanesulfonic acid--4-{2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetamido}benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C21H27FN6O7S2 |
|---|---|
| Molecular Weight | 558.13666 g/mol |
| LogP | 1.4419 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 558.13666 |
| Monoisotopic Mass | 558.13666 |
| Heavy Atoms | 37 |
| Complexity | 930.0 |
Chemical Identifiers
| CAS Number | 2140-77-4 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C |
| InChIKey | RLWOMGQQMWOIRX-UHFFFAOYSA-N |
Product Overview
AC1L6PH5 (CAS 2140-77-4), with molecular formula C21H27FN6O7S2 and molecular weight 558.13666 g/mol. IUPAC: 4-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid.