Acediasulfone
Basic information
- CAS
80-03-5- Standard SMILES
Nc1ccc(S(=O)(=O)c2ccc(NCC(=O)O)cc2)cc1- InChIKey
FKKUMFTYSTZUJG-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4S
- Average molar mass
- 306.34 g/mol
- Monoisotopic mass
- 306.06742811
Overview
Acediasulfone is an alpha-amino acid.
Names & identifiers
- Preferred name
- Acediasulfone
- IUPAC
- 2-[4-(4-aminophenyl)sulfonylanilino]acetic acid
- English name
- N-[4-[(4-aminophenyl)sulphonyl]phenyl]glycine
- Molecular formula
- C14H14N2O4S
- Molecular weight
- 306.33696
Names & synonyms
Acediasulfone80-03-5AcediasulphoneN-p-sulfanilylphenylglycine30YP2YHH8WAce (sulfone)DTXSID002299912-(4-(4-aminophenylsulfonyl)phenylamino)acetic acidRefChem:108746DTXCID50152482201-243-7Acediasulfonum
Show more names
N-[4-[(4-Aminophenyl)sulfonyl]phenyl]glycine[4-(4-Aminophenylsulfonyl)anilino]acetic acidGlycine, N-[4-[(4-aminophenyl)sulfonyl]phenyl]-2-[[4-(4-azanylphenyl)sulfonylphenyl]amino]ethanoic acid
UNII-30YP2YHH8W2-[4-(4-aminophenyl)sulfonylanilino]acetic acidN-[4-[(4-AMINOPHENYL)SULPHONYL]PHENYL]GLYCINEEINECS 201-243-7N-(4-((4-Aminophenyl)sulphonyl)phenyl)glycineCHEMBL483962-((4-((4-Aminophenyl)sulfonyl)phenyl)amino)acetic acid2-({4-[(4-Aminophenyl)sulfonyl]phenyl}amino)acetic acid
Database identifiers
- CAS
80-03-5- PubChem CID
- 66451
- DTXSID
DTXSID00229991- ChEMBL
CHEMBL48396- ChEBI
CHEBI:135300- UNII
- 30YP2YHH8W
- EC Number
- 201-243-7
- Nikkaji
- J4.246C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 194 ° · 194°
- FDA UNII
- 30 YP2YHH8W · 30YP2YHH8W
Chemistry & industry
Applications
UsesAcediasulfone is an antimicrobial. Acediasulfone can formation of a colored product reaction with p-dimethylaminobenzaldehyde[1].
Additional notes
DefinitionChEBI: Acediasulfone is an alpha-amino acid.
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Related reactions
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Compound notes
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