Basic information
- CAS
72236-24-9- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1- InChIKey
JQDWCODPTYKORB-UHFFFAOYSA-N- Molecular formula
- C15H14N2O5S
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.06234272
Names & identifiers
- Preferred name
- 4-({[4-(Acetylamino)phenyl]sulfonyl}amino)benzoic acid
- IUPAC
- 4-[(4-acetamidophenyl)sulfonylamino]benzoic acid
Names & synonyms
4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoic acid4-[(4-acetamidophenyl)sulfonylamino]benzoic acid72236-24-9NSC68431Oprea1_361926Oprea1_441309DTXSID70290390NSC-68431AKOS001107633ST509858974-(4-acetylaminobenzenesulfonylamino)benzoic acid4-(4-Acetamidobenzene-1-sulfonamido)benzoic acid
Show more names
SR-01000326289SR-01000326289-1Z45512284
Database identifiers
- CAS
72236-24-9- PubChem CID
- 249753
- DTXSID
DTXSID70290390
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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