N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine

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Basic information

CAS: 501653-65-2
Standard SMILES: CS(=O)(=O)N(CC(=O)O)Cc1ccc(F)cc1
InChIKey: YBJUMXHTBKJGDI-UHFFFAOYSA-N
Molecular formula: C10H12FNO4S
Average molar mass: 261.27 g/mol
Monoisotopic mass: 261.0471072

Names & identifiers

Preferred name: N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine
IUPAC: 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetic acid

Names & synonyms

N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine501653-65-2N-[(4-Fluorophenyl)methyl]-N-(methylsulfonyl)glycineNSC2089272-[(4-fluorophenyl)methyl-methylsulfonylamino]acetic acidDTXSID001218236STK801309AKOS000112160NSC-208927SR-01000302478SR-01000302478-1N-[(4-Fluorophenyl)methyl]-N-(methanesulfonyl)glycine

Database identifiers

CAS: 501653-65-2
PubChem CID: 308231
DTXSID: DTXSID001218236

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 357

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Compound notes

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