Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-
Basic information
- CAS
62646-28-0- Standard SMILES
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1- InChIKey
YNKYUVNLFJJWHG-UHFFFAOYSA-N- Molecular formula
- C13H12N2O6S2
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.01367845
Names & identifiers
- Preferred name
- Benzoic acid, 4-(((4-(aminosulfonyl)phenyl)sulfonyl)amino)-
- IUPAC
- 4-[(4-sulfamoylphenyl)sulfonylamino]benzoic acid
Names & synonyms
62646-28-0BENZOIC ACID, 4-(((4-(AMINOSULFONYL)PHENYL)SULFONYL)AMINO)-4-(((4-(Aminosulfonyl)phenyl)sulfonyl)amino)benzoic acidDTXSID00211699RefChem:327284DTXCID801341904-(4-Sulfamoylbenzene-1-sulfonamido)benzoic acid
Database identifiers
- CAS
62646-28-0- PubChem CID
- 44108
- DTXSID
DTXSID00211699
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 618
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Related reactions
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Compound notes
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