AC1Q6X5F
3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: Replaced CAS registry number(s): 50699-30-4|ethanesulfonic acid- 3-({[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]carbamoyl}amino)benzenesulfonyl fluoride(1:1)|3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me|3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride; ethanesulfonic acid|Benzenesulfonyl fluoride, 3-[[[[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl]amino]carbonyl]amino]-, monoethanesulfonate|Benzenesulfonyl fluoride,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl]amino]carbonyl]amino]-, monoethanesulfonate|Ethanesulfonic acid, compd. with 3-[[[[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl]amino]carbonyl]amino]benzenesulfonyl] fluoride (1:1)|Ethanesulfonic acid, compd. with N-[[m-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]carbamoyl]metanilyl fluoride (1:1)|Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl]amino]carbonyl]amino]benzenesulfonyl] fluoride (1:1)|Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]carbamoyl]metanilyl fluoride (1:1)|Ethanesulfonic acid--3-[({[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)|Ethanesulfonic acid-3-({[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]carbamoyl}amino)benzenesulfonyl fluoride(1:1)|Metanilyl fluoride, N-[[m-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]carbamoyl]-, monoethanesulfonate|Metanilyl fluoride,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]carbamoyl]-, monoethanesulfonate
| Molecular Formula | C21H28FN7O6S2 |
|---|---|
| Molecular Weight | 557.15265 g/mol |
| LogP | 1.7461 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 557.15265 |
| Monoisotopic Mass | 557.15265 |
| Heavy Atoms | 37 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 19159-37-6 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C |
| InChIKey | LHHLVYCSUKGAOS-UHFFFAOYSA-N |
Product Overview
AC1Q6X5F (CAS 19159-37-6), with molecular formula C21H28FN7O6S2 and molecular weight 557.15265 g/mol. IUPAC: 3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid.