Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with iminobis(methanol) (1:1)
Basic information
- CAS
112997-64-5- Standard SMILES
NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1.OC[NH2+]CO- InChIKey
HFWSOQADSIAXNC-UHFFFAOYSA-N- Molecular formula
- C12H19N3O7S
- Average molar mass
- 349.36 g/mol
- Monoisotopic mass
- 349.09437113
Names & identifiers
- Preferred name
- Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with iminobis(methanol) (1:1)
- IUPAC
- bis(hydroxymethyl)azanium;4-oxo-4-(4-sulfamoylanilino)butanoate
Names & synonyms
112997-64-5DTXSID00150251RefChem:330858DTXCID8072742Hydroxy-N-(hydroxymethyl)methanaminium 4-oxo-4-(4-sulfamoylanilino)butanoate
Database identifiers
- CAS
112997-64-5- PubChem CID
- 60585
- DTXSID
DTXSID00150251
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…