Basic information
- CAS
67216-66-4- Standard SMILES
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)c3ccccc23)cc1- InChIKey
AEFSWBXDSKVPDG-UHFFFAOYSA-N- Molecular formula
- C19H17NO4S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.0878292
Names & identifiers
- Preferred name
- 4-[Methyl(4-methylbenzene-1-sulfonyl)amino]naphthalene-1-carboxylic acid
- IUPAC
- 4-[methyl-(4-methylphenyl)sulfonylamino]naphthalene-1-carboxylic acid
Names & synonyms
67216-66-4NSC169540DTXSID003051684-[Methyl(4-methylbenzene-1-sulfonyl)amino]naphthalene-1-carboxylic acidNSC-1695404-(N,4-Dimethylbenzene-1-sulfonamido)naphthalene-1-carboxylic acid
Database identifiers
- CAS
67216-66-4- PubChem CID
- 297976
- DTXSID
DTXSID00305168
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…