2-(4-Chloro-5-{[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl}-2-methylphenoxy)acetamide
Basic information
- CAS
701217-30-3- Standard SMILES
Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OCC(N)=O- InChIKey
PARZSDKPSFNTDO-UHFFFAOYSA-N- Molecular formula
- C21H26ClN3O4S
- Average molar mass
- 452 g/mol
- Monoisotopic mass
- 451.1332552
Names & identifiers
- Preferred name
- 2-(4-Chloro-5-{[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl}-2-methylphenoxy)acetamide
- IUPAC
- 2-[4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide
- English name
- 2-(4-chloro-5-{[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl}-2-methylphenoxy)acetamide
- Molecular formula
- C21H26ClN3O4S
- Molecular weight
- 451.97
Names & synonyms
701217-30-32-(4-chloro-5-{[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl}-2-methylphenoxy)acetamide2-[4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamideSMR000135829MLS000530851MLS002546250CHEMBL1510221HMS2420N092-(4-Chloro-5-((4-(2,3-dimethylphenyl)piperazin-1-yl)sulfonyl)-2-methylphenoxy)acetamideAP-866/42442274Acetamide, 2-[4-chloro-5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]-
Database identifiers
- CAS
701217-30-3- PubChem CID
- 992273
- ChEMBL
CHEMBL1510221
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 693
Physicochemical properties
- Boiling point
- 690.7 · 690.7±65.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 15.09 · 15.09±0.40(Predicted)
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Compound notes
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