2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone

C17H17F3N2O4S3 — CID 30892099

IUPAC2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CSc1cccs1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H17F3N2O4S3/c18-17(19,20)26-13-3-5-14(6-4-13)29(24,25)22-9-7-21(8-10-22)15(23)12-28-16-2-1-11-27-16/h1-6,11H,7-10,12H2
InChIKeySTFGGTQKPYVIKU-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.27
Rot. Bonds6

About 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone

2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone (PubChem CID 30892099) has the molecular formula C17H17F3N2O4S3 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone
PubChem CID30892099
Molecular FormulaC17H17F3N2O4S3
Molecular Weight466.53 g/mol
Exact Mass466.03
IUPAC Name2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CSc1cccs1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H17F3N2O4S3/c18-17(19,20)26-13-3-5-14(6-4-13)29(24,25)22-9-7-21(8-10-22)15(23)12-28-16-2-1-11-27-16/h1-6,11H,7-10,12H2
InChIKeySTFGGTQKPYVIKU-UHFFFAOYSA-N
XLogP3.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 30885271
1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 17422638
N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
CID 24544072
pyridin-4-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4875578
3-(4-fluorophenyl)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]butan-1-one
CID 55923966
3-(3-methoxyphenyl)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 24559859
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 27508693
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941
[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 27769595
furan-3-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24531914
1-thiophen-2-yl-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butane-1,4-dione
CID 43003200
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 2458753

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone (CID 30892099) is 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone is O=C(CSc1cccs1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone?
The InChIKey is STFGGTQKPYVIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S3/c18-17(19,20)26-13-3-5-14(6-4-13)29(24,25)22-9-7-21(8-10-22)15(23)12-28-16-2-1-11-27-16/h1-6,11H,7-10,12H2.
What are the key properties of 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone?
2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone has a molecular weight of 466.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 30892099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).