Basic information
- Standard SMILES
CN(C)S(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccccc23)cc1- InChIKey
ZDHOFWLMPQISCH-UHFFFAOYSA-N- Molecular formula
- C21H19NO5S
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- [4-(4-Dimethylsulfamoyl-benzoyl)-naphthalen-2-yl]-acetic acid
- IUPAC
- 2-[4-[4-(dimethylsulfamoyl)benzoyl]naphthalen-2-yl]acetic acid
Names & synonyms
SCHEMBL709649ZDHOFWLMPQISCH-UHFFFAOYSA-N[4-(4-dimethylsulfamoyl-benzoyl)-naphthalen-2-yl]-acetic acid
Database identifiers
- PubChem CID
- 46204258
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 675
Related reactions
2 records
Compound notes
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