Basic information
- Standard SMILES
COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(OC)c1- InChIKey
UQTMNJQZKUYSRT-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO5S
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 369.0437715
Names & identifiers
- Preferred name
- [(4-Chlorophenyl)-(3-methoxy-benzenesulphonyl)-amino]-acetic acid methyl ester
- IUPAC
- methyl 2-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)acetate
Names & synonyms
SCHEMBL1629270UQTMNJQZKUYSRT-UHFFFAOYSA-N[(4-chlorophenyl)-(3-methoxy-benzenesulfonyl)-amino]-acetic acid methyl ester[(4-Chlorophenyl)-(3-methoxy-benzenesulphonyl)-amino]-acetic acid methyl ester
Database identifiers
- PubChem CID
- 57788185
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 513
Related reactions
3 records
Compound notes
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