Basic information
- CAS
22295-75-6- Standard SMILES
O=C1C(Cl)=C(Nc2ccc(S(=O)(=O)O)cc2)C(=O)c2ccccc21- InChIKey
MLYBSSZMMDAHIS-UHFFFAOYSA-N- Molecular formula
- C16H10ClNO5S
- Average molar mass
- 363.8 g/mol
- Monoisotopic mass
- 362.9968213
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
- IUPAC
- 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzenesulfonic acid
Names & synonyms
22295-75-6Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-Benzenesulfonic acid, 4-[(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]-CHEMBL2010527DTXSID101768414-[(3-chloro-1,4-dioxo-2-naphthyl)amino]benzenesulfonic acid4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzene-1-sulfonic acid
Database identifiers
- CAS
22295-75-6- PubChem CID
- 413255
- DTXSID
DTXSID10176841- ChEMBL
CHEMBL2010527
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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