AC1L5HI2
4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 4-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]carbamoyl}amino)benzenesulfonyl fluoride(1:1)|4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride,ethanesulfonic acid|4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride; ethanesulfonic acid|4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid|Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]carbamoyl]sulfanilyl fluoride (1:1)|Ethanesulfonic acid--4-[({[4-(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-4-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]carbamoyl}amino)benzenesulfonyl fluoride(1:1)
| 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 | 929.0 |
Chemical Identifiers
| CAS Number | 2140-71-8 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C |
| InChIKey | XQZHUUGYYCSZBS-UHFFFAOYSA-N |
Product Overview
AC1L5HI2 (CAS 2140-71-8), with molecular formula C21H28FN7O6S2 and molecular weight 557.15265 g/mol. IUPAC: 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid.