2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol

C21H20F3N3O3S — CID 69411310

IUPAC2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(C(O)C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H20F3N3O3S/c22-21(23,24)20(28)17-6-8-19(25-14-17)26-9-11-27(12-10-26)31(29,30)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,20,28H,9-12H2
InChIKeySAVLJSBHRWRLKD-UHFFFAOYSA-N
MW451.47 g/mol
LogP3.34
Rot. Bonds4

About 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol

2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol (PubChem CID 69411310) has the molecular formula C21H20F3N3O3S and a molecular weight of 451.47 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol
PubChem CID69411310
Molecular FormulaC21H20F3N3O3S
Molecular Weight451.47 g/mol
Exact Mass451.12
IUPAC Name2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(C(O)C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H20F3N3O3S/c22-21(23,24)20(28)17-6-8-19(25-14-17)26-9-11-27(12-10-26)31(29,30)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,20,28H,9-12H2
InChIKeySAVLJSBHRWRLKD-UHFFFAOYSA-N
XLogP3.34
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 71556647
4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate
CID 58845099
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-inden-2-yl]methanediol
CID 135160185
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 53047728
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 43037992
4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 53093497

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol (CID 69411310) is 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol is O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(C(O)C(F)(F)F)cn2)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol?
The InChIKey is SAVLJSBHRWRLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3S/c22-21(23,24)20(28)17-6-8-19(25-14-17)26-9-11-27(12-10-26)31(29,30)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,20,28H,9-12H2.
What are the key properties of 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol?
2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol has a molecular weight of 451.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 69411310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).