Basic information
- Standard SMILES
CCCNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F- InChIKey
IJXIJLLLPRCNLJ-UHFFFAOYSA-N- Molecular formula
- C10H11ClFNO4S
- Average molar mass
- 295.72 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-fluoro-5-[(propylamino)sulfonyl]benzoic acid
- IUPAC
- 2-chloro-4-fluoro-5-(propylsulfamoyl)benzoic acid
Names & synonyms
SCHEMBL3528864IJXIJLLLPRCNLJ-UHFFFAOYSA-N2-chloro-4-fluoro-5-[(propylamino)sulfonyl]benzoic acid
Database identifiers
- PubChem CID
- 58728336
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Related reactions
3 records
Compound notes
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