[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C23H24ClF4N3O3S — CID 2532194

IUPAC[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24ClF4N3O3S/c24-21-6-5-19(15-20(21)23(26,27)28)35(33,34)31-9-7-16(8-10-31)22(32)30-13-11-29(12-14-30)18-3-1-17(25)2-4-18/h1-6,15-16H,7-14H2
InChIKeyASQIMAFJPHTYEZ-UHFFFAOYSA-N
MW533.98 g/mol
LogP4.25
Rot. Bonds4

About [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2532194) has the molecular formula C23H24ClF4N3O3S and a molecular weight of 533.98 g/mol. Its IUPAC name is [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2532194
Molecular FormulaC23H24ClF4N3O3S
Molecular Weight533.98 g/mol
Exact Mass533.12
IUPAC Name[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24ClF4N3O3S/c24-21-6-5-19(15-20(21)23(26,27)28)35(33,34)31-9-7-16(8-10-31)22(32)30-13-11-29(12-14-30)18-3-1-17(25)2-4-18/h1-6,15-16H,7-14H2
InChIKeyASQIMAFJPHTYEZ-UHFFFAOYSA-N
XLogP4.25
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.98
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589940
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 24517550
[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclohexylmethanone
CID 113080057
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 3214687
(1S,5S)-3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 98399944
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 52724337
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone
CID 20856447
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26578999
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-cyclopropyl-N-propan-2-ylpiperidine-4-carboxamide
CID 112816964
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 26085814
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823088

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 2532194) is [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is ASQIMAFJPHTYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF4N3O3S/c24-21-6-5-19(15-20(21)23(26,27)28)35(33,34)31-9-7-16(8-10-31)22(32)30-13-11-29(12-14-30)18-3-1-17(25)2-4-18/h1-6,15-16H,7-14H2.
What are the key properties of [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 533.98 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2532194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).