1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine

C17H18F3N3O3S — CID 24982245

IUPAC1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)CC1
InChIInChI=1S/C17H18F3N3O3S/c1-22-7-9-23(10-8-22)27(24,25)15-5-6-16(21-12-15)26-14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12H,7-10H2,1H3
InChIKeyHGSIJRDDWMECNH-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.83
Rot. Bonds4

About 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine

1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine (PubChem CID 24982245) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine
PubChem CID24982245
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC Name1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)CC1
InChIInChI=1S/C17H18F3N3O3S/c1-22-7-9-23(10-8-22)27(24,25)15-5-6-16(21-12-15)26-14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12H,7-10H2,1H3
InChIKeyHGSIJRDDWMECNH-UHFFFAOYSA-N
XLogP2.83
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenoxy)piperidin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 44435099
1-[[6-(3-Chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2539884
N-(3-methoxybenzylidene)-N-{4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinyl}amine
CID 6877633
2-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759461
4-methoxy-N-{[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl}benzenesulfonamide
CID 16189549
4-[(5-Piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24978821
1-Methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine
CID 24982380
3,4-difluoro-N-(4-isobutoxybenzyl)-N-(4-pyridinylmethyl)benzenesulfonamide
CID 42167488
2,4-difluoro-N-(4-isobutoxybenzyl)-N-(4-pyridinylmethyl)benzenesulfonamide
CID 42276973

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine (CID 24982245) is 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine is CN1CCN(S(=O)(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)CC1.
What is the InChIKey of 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine?
The InChIKey is HGSIJRDDWMECNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c1-22-7-9-23(10-8-22)27(24,25)15-5-6-16(21-12-15)26-14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine?
1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine has a molecular weight of 401.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine is sourced from PubChem (CID 24982245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).