[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
Basic information
- CAS
746617-64-1- Standard SMILES
O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1- InChIKey
DKZZQGWVGGUDTD-UHFFFAOYSA-N- Molecular formula
- C20H18ClN3O3S
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 415.0757403
Names & identifiers
- Preferred name
- [4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
- IUPAC
- [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
Names & synonyms
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanoneMLS002252726CHEMBL1699496SCHEMBL14777896DTXSID901332455HMS3083E18AKOS034086621746617-64-1SMR001315062Z29408410[4-(4-Chlorobenzene-1-sulfonyl)piperazin-1-yl](quinolin-2-yl)methanone
Database identifiers
- CAS
746617-64-1- PubChem CID
- 2113591
- DTXSID
DTXSID901332455- ChEMBL
CHEMBL1699496
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 652
Experimental & physicochemical properties
Solubility27.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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