Basic information
- Standard SMILES
CS(=O)(=O)Nc1cccc(CCOS(C)(=O)=O)c1- InChIKey
BSIFQLUYCMSXPT-UHFFFAOYSA-N- Molecular formula
- C10H15NO5S2
- Average molar mass
- 293.4 g/mol
Names & identifiers
- Preferred name
- 2-{3-[(Methylsulfonyl)amino]phenyl}ethyl methanesulfonate
- IUPAC
- 2-[3-(methanesulfonamido)phenyl]ethyl methanesulfonate
Names & synonyms
SCHEMBL2878954BSIFQLUYCMSXPT-UHFFFAOYSA-N2-{3-[(methylsulfonyl)amino]phenyl}ethyl methanesulfonate
Database identifiers
- PubChem CID
- 57444359
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 446
Related reactions
9 records
Compound notes
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