Basic information
- CAS
791844-72-9- Standard SMILES
CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1- InChIKey
AXLKSLCPUQQICM-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O3S
- Average molar mass
- 300.76 g/mol
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole
- IUPAC
- 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole
- English name
- 4-chloro-2-(1H-imidazol-1-ylsulfonyl)-5-methylphenyl ethyl ether
- Molecular formula
- C12H13ClN2O3S
- Molecular weight
- 300.76122
Names & synonyms
791844-72-91-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole1-((5-chloro-2-ethoxy-4-methylphenyl)sulfonyl)-1H-imidazoleF1773-0149MLS000716732CHEMBL1446052HMS2663O12SMSSF-0042951AKOS000600984CCG-123296NCGC00663626-01SMR000278249
Show more names
1-[(5-Chloro-2-ethoxy-4-methylphenyl)sulfonyl]-1H-imidazole
ST50171501AP-263/43028300SR-01000014986SR-01000014986-1Z27347018581-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-1H-imidazole5-chloro-2-ethoxy-1-(imidazolylsulfonyl)-4-methylbenzene4-chloro-2-(1H-imidazol-1-ylsulfonyl)-5-methylphenyl ethyl ether
Database identifiers
- CAS
791844-72-9- ChEMBL
CHEMBL1446052
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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