[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C21H23F3N2O3S — CID 26267145

IUPAC[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C21H23F3N2O3S/c1-15(2)16-7-9-17(10-8-16)30(28,29)26-13-11-25(12-14-26)20(27)18-5-3-4-6-19(18)21(22,23)24/h3-10,15H,11-14H2,1-2H3
InChIKeyRHEITSWTQJLGFZ-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.98
Rot. Bonds4

About [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 26267145) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID26267145
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Name[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C21H23F3N2O3S/c1-15(2)16-7-9-17(10-8-16)30(28,29)26-13-11-25(12-14-26)20(27)18-5-3-4-6-19(18)21(22,23)24/h3-10,15H,11-14H2,1-2H3
InChIKeyRHEITSWTQJLGFZ-UHFFFAOYSA-N
XLogP3.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 26203550
(2,6-difluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4249772
(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26301263
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
[2-(trifluoromethyl)phenyl]-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26293300
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 4807363
(2-methylsulfanylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4807248
(5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17489584
6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 55836861
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 26267145) is [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is RHEITSWTQJLGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-15(2)16-7-9-17(10-8-16)30(28,29)26-13-11-25(12-14-26)20(27)18-5-3-4-6-19(18)21(22,23)24/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 440.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 26267145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).