(1-((4-Methylphenyl)sulfonyl)-1H-imidazol-5-yl)methyl acetate

HCID 382152

Basic information

Standard SMILES
CC(=O)OCc1cncn1S(=O)(=O)c1ccc(C)cc1
InChIKey
AXLRKQHOEWAMSP-UHFFFAOYSA-N
Molecular formula
C13H14N2O4S
Average molar mass
294.33 g/mol

Names & identifiers

Preferred name
(1-((4-Methylphenyl)sulfonyl)-1H-imidazol-5-yl)methyl acetate
IUPAC
[3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl acetate

Names & synonyms

NSC669598(1-((4-Methylphenyl)sulfonyl)-1H-imidazol-5-yl)methyl acetateCHEMBL1986434SCHEMBL112724315-acetoxymethyl-1-tosylimidazoleAXLRKQHOEWAMSP-UHFFFAOYSA-N5-acetyloxymethyl-1-tosylimidazoleNSC-669598NCI60_024276[3-(p-tolylsulfonyl)imidazol-4-yl]methyl acetate

Database identifiers

PubChem CID
382152
ChEMBL
CHEMBL1986434

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
86.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20

Related reactions

4 records

Compound notes

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