Basic information
- Standard SMILES
Cc1ccc(C(=O)CCl)cc1S(N)(=O)=O- InChIKey
NHCAGBOIRYHLTF-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO3S
- Average molar mass
- 247.7 g/mol
- Monoisotopic mass
- 247.006992
Names & identifiers
- Preferred name
- 2-Chloro-4'-methyl-3'-sulfamoylacetophenone
- IUPAC
- 5-(2-chloroacetyl)-2-methylbenzenesulfonamide
Names & synonyms
SCHEMBL11597421NHCAGBOIRYHLTF-UHFFFAOYSA-N2-chloro-4'-methyl-3'-sulfamoylacetophenone4'-Methyl-3'-sulfamoyl-2-chloroacetophenone
Database identifiers
- PubChem CID
- 13628783
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 336
Related reactions
9 records
Compound notes
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