Basic information
- CAS
592472-92-9- Standard SMILES
Cc1cccc(N(CC(=O)O)S(C)(=O)=O)c1C- InChIKey
XDGKCDLOAWRWJU-UHFFFAOYSA-N- Molecular formula
- C11H15NO4S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.07217913
Names & identifiers
- Preferred name
- N-(2,3-Dimethylphenyl)-N-(methylsulfonyl)glycine
- IUPAC
- 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
Names & synonyms
N-(2,3-Dimethylphenyl)-N-(methylsulfonyl)glycine592472-92-92-(2,3-dimethyl-N-methylsulfonylanilino)acetic acidglycine, N-(2,3-dimethylphenyl)-N-(methylsulfonyl)-2-[N-(2,3-dimethylphenyl)methanesulfonamido]acetic acidCBKinase1_004461CBKinase1_016861DTXSID001237630ALBB-029191MFCD04086535AKOS000297534FD136285
Show more names
LS-10210H44458SR-01000268917N-(2,3-Dimethylphenyl)-N-(methanesulfonyl)glycineSR-01000268917-12-(2,3-dimethyl-N-methylsulfonyl-anilino)acetic acidBRD-K24177831-001-01-6
Database identifiers
- CAS
592472-92-9- PubChem CID
- 975035
- DTXSID
DTXSID001237630
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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