4-[2-[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
Basic information
- CAS
25288-32-8- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2ccc(CCNS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)n1.O=S(=O)(O)O- InChIKey
BUGAJZGRTMGHOT-UHFFFAOYSA-N- Molecular formula
- C25H24Cl2FN5O9S3
- Average molar mass
- 724.6 g/mol
- Monoisotopic mass
- 723.0097244
Names & identifiers
- Preferred name
- 4-[2-[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
- IUPAC
- 4-[2-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylsulfamoyl]benzenesulfonyl fluoride;sulfuric acid
Names & synonyms
25288-32-8NSC1215304-[2-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylsulfamoyl]benzenesulfonyl fluoride; sulfuric acidDTXSID80329423NSC211221NSC-121530NSC-211221Sulfuric acid--4-{[2-(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)ethyl]sulfamoyl}benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
25288-32-8- PubChem CID
- 420192
- DTXSID
DTXSID80329423
Properties
Computed structural properties
- Topological polar surface area
- 267 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,100
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Compound notes
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