N-(3,4-Dimethoxyphenyl)-N-(phenylsulfonyl)glycine

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Basic information

Standard SMILES: COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1OC
InChIKey: MCPGDMPLCLMLPW-UHFFFAOYSA-N
Molecular formula: C16H17NO6S
Average molar mass: 351.4 g/mol
Monoisotopic mass: 351.07765844

Names & identifiers

Preferred name: N-(3,4-Dimethoxyphenyl)-N-(phenylsulfonyl)glycine
IUPAC: 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetic acid

Names & synonyms

N-(3,4-Dimethoxyphenyl)-N-(phenylsulfonyl)glycine333449-93-72-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetic acidglycine, N-(3,4-dimethoxyphenyl)-N-(phenylsulfonyl)-2-[N-(3,4-dimethoxyphenyl)benzenesulfonamido]acetic acidOprea1_016729Oprea1_779515SCHEMBL398861MCPGDMPLCLMLPW-UHFFFAOYSA-NALBB-029279MFCD02576287AKOS000297515

Show more names

LS-10292CS-0327760ST50302161H44546[3,4-dimethoxy(phenylsulfonyl)anilino]acetic acidAG-690/15439463[(3,4-dimethoxyphenyl)(phenylsulfonyl)amino]acetic acid2-[(3,4-dimethoxyphenyl)(phenylsulfonyl)amino]acetic acid

Database identifiers

PubChem CID: 1097948

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 102 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 511

Related reactions

2 records

New reaction record

HRID 421556As productuspto-grants-2012_01

HRID 701249As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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