Basic information
- CAS
58416-73-2- Standard SMILES
Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1- InChIKey
JZFQFTJOYSFAGC-UHFFFAOYSA-N- Molecular formula
- C22H18N4O3S
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.10996162
Names & identifiers
- Preferred name
- 4-amino-N-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]benzenesulfonamide
- IUPAC
- 4-amino-N-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]benzenesulfonamide
Names & synonyms
MLS00311516858416-73-2NSC232476CHEMBL2001634DTXSID10418354NSC-232476SMR0018307514-Amino-N-[(6Z)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1,6-dihydropyrimidin-2-yl]benzene-1-sulfonamide
Database identifiers
- CAS
58416-73-2- PubChem CID
- 314558
- DTXSID
DTXSID10418354- ChEMBL
CHEMBL2001634
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 641
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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