Basic information
- Standard SMILES
CN(C)S(=O)(=O)n1ccc(C(=O)c2cccc(Cl)c2)n1- InChIKey
YVEBYUGCLOXCTJ-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O3S
- Average molar mass
- 313.76 g/mol
- Monoisotopic mass
- 313.0287901
Names & identifiers
- Preferred name
- 3-(3-chloro-benzoyl)-1H-pyrazole-1-sulfonic acid dimethylamide
- IUPAC
- 3-(3-chlorobenzoyl)-N,N-dimethylpyrazole-1-sulfonamide
Names & synonyms
SCHEMBL877480YVEBYUGCLOXCTJ-UHFFFAOYSA-N3-(3-chloro-benzoyl)-1H-pyrazole-1-sulfonic acid dimethylamide
Database identifiers
- PubChem CID
- 66826445
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 463
Related reactions
4 records
Compound notes
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