Basic information
- Standard SMILES
CCOC(=O)c1ccc(NCCS(=O)(=O)O)cc1- InChIKey
VJNYUJURZVUVFD-UHFFFAOYSA-N- Molecular formula
- C11H15NO5S
- Average molar mass
- 273.31 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(2-sulfoethylamino)benzoate
- IUPAC
- 2-(4-ethoxycarbonylanilino)ethanesulfonic acid
Names & synonyms
SCHEMBL11399307VJNYUJURZVUVFD-UHFFFAOYSA-Nethyl 4-(2-sulfoethylamino)benzoate
Database identifiers
- PubChem CID
- 21163340
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Related reactions
6 records
Compound notes
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