4-[[3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
Basic information
- CAS
25288-18-0- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2cccc(CNS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)n1.O=S(=O)(O)O- InChIKey
CDGPZFYLHHUHBS-UHFFFAOYSA-N- Molecular formula
- C24H22Cl2FN5O9S3
- Average molar mass
- 710.6 g/mol
- Monoisotopic mass
- 708.9940744
Names & identifiers
- Preferred name
- 4-[[3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
- IUPAC
- 4-[[3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride;sulfuric acid
Names & synonyms
25288-18-0NSC1215274-[[3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acidDTXSID00329420NSC-121527Sulfuric acid--4-{[(3-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
25288-18-0- PubChem CID
- 420186
- DTXSID
DTXSID00329420
Properties
Computed structural properties
- Topological polar surface area
- 267 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,090
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Compound notes
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