Piperazine, 1-((4-chlorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
Basic information
- CAS
72141-56-1- Standard SMILES
O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1- InChIKey
HVICCLWOVOURCK-UHFFFAOYSA-N- Molecular formula
- C27H22ClF3N4O3S
- Average molar mass
- 575 g/mol
- Monoisotopic mass
- 574.1053239
Names & identifiers
- Preferred name
- Piperazine, 1-((4-chlorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
- IUPAC
- [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
Names & synonyms
72141-56-1BRN 6257179Piperazine, 1-[(4-chlorophenyl)sulfonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]-1-((4-Chlorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)piperazinePiperazine, 1-((4-chlorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-1-[(4-chlorophenyl)sulfonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazineRefChem:37180996937-50-7(4-((4-Chlorophenyl)sulfonyl)piperazin-1-yl)(4-((7-(trifluoromethyl)quinolin-4-yl)amino)phenyl)methanoneCHEMBL432840SCHEMBL7352945DTXSID30992863
Show more names
ZINC03915008[4-(4-Chlorobenzene-1-sulfonyl)piperazin-1-yl](4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)methanone[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]methanone1-[(4-Chlorophenyl)sulfonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]-piperazine
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 941
Related reactions
1 records
Compound notes
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