4-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methylphenyl]methylsulfamoyl]benzenesulfonyl fluoride;sulfuric acid
Basic information
- CAS
25288-45-3- Standard SMILES
Cc1cc(OCc2nc(N)nc(N)c2-c2ccc(Cl)c(Cl)c2)ccc1CNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1.O=S(=O)(O)O- InChIKey
YQAPAICBWNLHBG-UHFFFAOYSA-N- Molecular formula
- C25H24Cl2FN5O9S3
- Average molar mass
- 724.6 g/mol
- Monoisotopic mass
- 723.0097244
Names & identifiers
- Preferred name
- 4-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methylphenyl]methylsulfamoyl]benzenesulfonyl fluoride;sulfuric acid
- IUPAC
- 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methylphenyl]methylsulfamoyl]benzenesulfonyl fluoride;sulfuric acid
Names & synonyms
NSC12535125288-45-3DTXSID60329481NSC-125351Sulfuric acid--4-{[(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}-2-methylphenyl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
25288-45-3- PubChem CID
- 420601
- DTXSID
DTXSID60329481
Properties
Computed structural properties
- Topological polar surface area
- 267 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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