1-Tosylamido-2-phenylethyldiazomethylketone

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Basic information

CAS: 10119-00-3
Standard SMILES: Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)C=[N+]=[N-])cc1
InChIKey: NAFSCPUMIXHGQP-INIZCTEOSA-N
Molecular formula: C17H17N3O3S
Average molar mass: 343.4 g/mol
Monoisotopic mass: 343.09906259

Names & identifiers

Preferred name: 1-Tosylamido-2-phenylethyldiazomethylketone
IUPAC: N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide

Names & synonyms

1-Tosylamido-2-phenylethyldiazomethylketoneTPDK10119-00-3Benzenesulfonamide, N-(3-diazo-2-oxo-1-(phenylmethyl)propyl)-4-methyl-, (S)-RefChem:77286SCHEMBL29696038tosyl-l-phenylalanyl-diazo methaneN-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide

Database identifiers

CAS: 10119-00-3
PubChem CID: 192863
Nikkaji: J973.235G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 73.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 564

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Compound notes

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