1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine

C22H21F3N2O2S — CID 17023784

IUPAC1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H21F3N2O2S/c23-22(24,25)20-7-3-4-17(14-20)16-26-10-12-27(13-11-26)30(28,29)21-9-8-18-5-1-2-6-19(18)15-21/h1-9,14-15H,10-13,16H2
InChIKeyASBQWSVZCLFNOY-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.37
Rot. Bonds4

About 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine

1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 17023784) has the molecular formula C22H21F3N2O2S and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID17023784
Molecular FormulaC22H21F3N2O2S
Molecular Weight434.48 g/mol
Exact Mass434.13
IUPAC Name1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H21F3N2O2S/c23-22(24,25)20-7-3-4-17(14-20)16-26-10-12-27(13-11-26)30(28,29)21-9-8-18-5-1-2-6-19(18)15-21/h1-9,14-15H,10-13,16H2
InChIKeyASBQWSVZCLFNOY-UHFFFAOYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
1-naphthalen-2-ylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine;oxalic acid
CID 2901433
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367
4-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34686262
[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]methanone
CID 90936466
1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 4799546
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1150416
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
2-[5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylthiophen-2-yl]acetic acid
CID 47012548

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 17023784) is 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is ASBQWSVZCLFNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2S/c23-22(24,25)20-7-3-4-17(14-20)16-26-10-12-27(13-11-26)30(28,29)21-9-8-18-5-1-2-6-19(18)15-21/h1-9,14-15H,10-13,16H2.
What are the key properties of 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 434.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 17023784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).