Basic information
- CAS
117054-78-1- Standard SMILES
NC(=O)c1cccc(N)c1S(=O)(=O)O- InChIKey
VUAYUCHNJKWJCP-UHFFFAOYSA-N- Molecular formula
- C7H8N2O4S
- Average molar mass
- 216.22 g/mol
- Monoisotopic mass
- 216.02047791
Names & identifiers
- Preferred name
- 2-Amino-6-(aminocarbonyl)benzenesulfonic acid
- IUPAC
- 2-amino-6-carbamoylbenzenesulfonic acid
Names & synonyms
2-Amino-6-(aminocarbonyl)benzenesulfonic acid117054-78-1SCHEMBL15641523DTXSID0012516082-Amino-6-carbamoylbenzene-1-sulfonic acid
Database identifiers
- CAS
117054-78-1- PubChem CID
- 14064458
- DTXSID
DTXSID001251608
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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