AC1L9K1P
3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride;sulfuric acid
Also Known As: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid|3-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride;sulfuric acid|Sulfuric acid--3-{[(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C24H22Cl2FN5O9S3 |
|---|---|
| Molecular Weight | 708.9941 g/mol |
| LogP | 3.6777 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 708.9941 |
| Monoisotopic Mass | 708.9941 |
| Heavy Atoms | 44 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 20105-67-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)S(=O)(=O)NCC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O |
| InChIKey | QJSXOTXNFDMSGX-UHFFFAOYSA-N |
Product Overview
AC1L9K1P (CAS 20105-67-3), with molecular formula C24H22Cl2FN5O9S3 and molecular weight 708.9941 g/mol. IUPAC: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride;sulfuric acid.