Basic information
- Standard SMILES
O=S(=O)(N=Cc1cncnc1)c1ccc(Cl)cc1- InChIKey
RZHBHRAUKCAVOL-UHFFFAOYSA-N- Molecular formula
- C11H8ClN3O2S
- Average molar mass
- 281.72 g/mol
Names & identifiers
- Preferred name
- (E)-4-chloro-N-(pyrimidin-5-ylmethylene)benzenesulfonamide
- IUPAC
- 4-chloro-N-(pyrimidin-5-ylmethylidene)benzenesulfonamide
Names & synonyms
SCHEMBL3072284SCHEMBL3072289RZHBHRAUKCAVOL-VIZOYTHASA-N(E)-4-chloro-N-(pyrimidin-5-ylmethylene)benzenesulfonamide
Database identifiers
- PubChem CID
- 68501360
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 380
Related reactions
1 records
Compound notes
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