n-(3,5-Dimethylphenyl)-n-(phenylsulfonyl)glycine

HCID 809266

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Basic information

CAS: 5628-64-8
Standard SMILES: Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1
InChIKey: AVJOHBPFDLGHEK-UHFFFAOYSA-N
Molecular formula: C16H17NO4S
Average molar mass: 319.4 g/mol
Monoisotopic mass: 319.0878292

Names & identifiers

Preferred name: n-(3,5-Dimethylphenyl)-n-(phenylsulfonyl)glycine
IUPAC: 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetic acid

Names & synonyms

n-(3,5-dimethylphenyl)-n-(phenylsulfonyl)glycine412939-58-35628-64-82-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetic acidglycine, N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)-2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetic acidCBMicro_026811CBKinase1_000610CBKinase1_013010Oprea1_727214Oprea1_777146DTXSID20355620

Show more names

ALBB-029277MFCD01030679AKOS000297486LS-10290BIM-0026620.P001CS-0327404H44544[3,5-dimethyl(phenylsulfonyl)anilino]acetic acid

Database identifiers

CAS: 5628-64-8
PubChem CID: 809266
DTXSID: DTXSID20355620

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 469

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