Basic information
- CAS
331749-97-4- Standard SMILES
COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1- InChIKey
GRLFAPNSCNHWDX-UHFFFAOYSA-N- Molecular formula
- C16H17NO4S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.0878292
Names & identifiers
- Preferred name
- methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate
- IUPAC
- methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate
Names & synonyms
331749-97-4N-(2-Methylphenyl)-N-(phenylsulfonyl)glycine methyl estermethyl N-(2-methylphenyl)-N-(phenylsulfonyl)glycinateCBMicro_026672Oprea1_164345Oprea1_221376methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetateDTXSID301196590STK326666AKOS000590481BIM-0026838.P001AB00091487-01
Show more names
Methyl N-(benzenesulfonyl)-N-(2-methylphenyl)glycinate
Database identifiers
- CAS
331749-97-4- PubChem CID
- 809259
- DTXSID
DTXSID301196590
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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