Basic information
- Standard SMILES
O=C(c1ncccn1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnco2)cc1- InChIKey
ASBVEFRFMRHTKN-UHFFFAOYSA-N- Molecular formula
- C20H13ClN4O4S
- Average molar mass
- 440.9 g/mol
Names & identifiers
- Preferred name
- N-[4-Chloro-2-(pyrimidine-2-carbonyl)-phenyl]-4-oxazol-5-yl-benzenesulfonamide
- IUPAC
- N-[4-chloro-2-(pyrimidine-2-carbonyl)phenyl]-4-(1,3-oxazol-5-yl)benzenesulfonamide
Names & synonyms
SCHEMBL343875CHEMBL3714920ASBVEFRFMRHTKN-UHFFFAOYSA-NN-[4-Chloro-2-(pyrimidine-2-carbonyl)-phenyl]-4-oxazol-5-yl-benzenesulfonamide
Database identifiers
- PubChem CID
- 10003401
- ChEMBL
CHEMBL3714920
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 689
Related reactions
5 records
Compound notes
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