Basic information
- Standard SMILES
O=C(O)c1ccc(NCCS(=O)(=O)O)cc1- InChIKey
XFSZZEXKSFJDBX-UHFFFAOYSA-N- Molecular formula
- C9H11NO5S
- Average molar mass
- 245.25 g/mol
- Monoisotopic mass
- 245.03579362
Names & identifiers
- Preferred name
- 4-(2-Sulfoethylamino)benzoic acid
- IUPAC
- 4-(2-sulfoethylamino)benzoic acid
Names & synonyms
SCHEMBL11407372XFSZZEXKSFJDBX-UHFFFAOYSA-N4-(2-sulfoethylamino)benzoic acid
Database identifiers
- PubChem CID
- 21163341
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Related reactions
3 records
Compound notes
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