[4-({2-[(Benzenesulfonyl)amino]ethyl}sulfanyl)phenoxy]acetic acid
Basic information
- CAS
141286-19-3- Standard SMILES
O=C(O)COc1ccc(SCCNS(=O)(=O)c2ccccc2)cc1- InChIKey
KSDACUAWXUGYAH-UHFFFAOYSA-N- Molecular formula
- C16H17NO5S2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.05481499
Names & identifiers
- Preferred name
- [4-({2-[(Benzenesulfonyl)amino]ethyl}sulfanyl)phenoxy]acetic acid
- IUPAC
- 2-[4-[2-(benzenesulfonamido)ethylsulfanyl]phenoxy]acetic acid
Names & synonyms
SCHEMBL7921068DTXSID801177046141286-19-3[4-({2-[(Benzenesulfonyl)amino]ethyl}sulfanyl)phenoxy]acetic acid2-[4-[[2-[(Phenylsulfonyl)amino]ethyl]thio]phenoxy]acetic acid
Database identifiers
- CAS
141286-19-3- PubChem CID
- 10044487
- DTXSID
DTXSID801177046- Nikkaji
- J583.814B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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