Completing data — usually done within a minute
Basic information
- CAS
4544-74-5- Standard SMILES
CCN(Cc1ccccc1S(=O)(=O)O)c1ccccc1- InChIKey
NYSGZPGLRCFJNK-UHFFFAOYSA-N- Molecular formula
- C15H17NO3S
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.0929144
Names & identifiers
- Preferred name
- 2-{[Ethyl(phenyl)amino]methyl}benzene-1-sulfonic acid
- IUPAC
- 2-[(N-ethylanilino)methyl]benzenesulfonic acid
Names & synonyms
2-{[Ethyl(phenyl)amino]methyl}benzene-1-sulfonic acid4544-74-5SCHEMBL2114132DTXSID50602952NYSGZPGLRCFJNK-UHFFFAOYSA-NAKOS015964788alpha-(N-Ethylanilino)-Toluenesulfonic Acid
Database identifiers
- CAS
4544-74-5- PubChem CID
- 20146722
- DTXSID
DTXSID50602952- Nikkaji
- J168.590B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Related reactions
4 records
Compound notes
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