Basic information
- Standard SMILES
O=C(O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12- InChIKey
MUTJYDBHNRSGOC-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2N3O4S
- Average molar mass
- 398.2 g/mol
- Monoisotopic mass
- 396.9690823
Names & identifiers
- Preferred name
- 4,5-Dichloro-2-(quinoxaline-5-sulfonylamino)-benzoic acid
- IUPAC
- 4,5-dichloro-2-(quinoxalin-5-ylsulfonylamino)benzoic acid
Names & synonyms
SCHEMBL1888717MUTJYDBHNRSGOC-UHFFFAOYSA-N4,5-dichloro-2-(quinoxaline-5-sulfonylamino)-benzoic acid
Database identifiers
- PubChem CID
- 16090769
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 600
Related reactions
12 records
Compound notes
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