Basic information
- CAS
112997-65-6- Standard SMILES
NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1.[NH4+]- InChIKey
VZIBLYKHIWXPSR-UHFFFAOYSA-N- Molecular formula
- C10H15N3O5S
- Average molar mass
- 289.31 g/mol
- Monoisotopic mass
- 289.07324176
Names & identifiers
- Preferred name
- butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, monoammonium salt
- IUPAC
- azanium 4-oxo-4-(4-sulfamoylanilino)butanoate
Names & synonyms
112997-65-6BUTANOIC ACID, 4-((4-(AMINOSULFONYL)PHENYL)AMINO)-4-OXO-, MONOAMMONIUM SALT4-((4-(Aminosulfonyl)phenyl)amino)-4-oxobutanoic acid monoammonium saltDTXSID60150252RefChem:330861DTXCID3072743Ammonium 4-oxo-4-(4-sulfamoylanilino)butanoate
Database identifiers
- CAS
112997-65-6- PubChem CID
- 60587
- DTXSID
DTXSID60150252
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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