1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine

C16H17F3N2O3S2 — CID 17422638

IUPAC1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H17F3N2O3S2/c17-16(18,19)24-13-3-5-15(6-4-13)26(22,23)21-9-7-20(8-10-21)12-14-2-1-11-25-14/h1-6,11H,7-10,12H2
InChIKeyQUNJWMLBXWEEDR-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.15
Rot. Bonds5

About 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine

1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine (PubChem CID 17422638) has the molecular formula C16H17F3N2O3S2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
PubChem CID17422638
Molecular FormulaC16H17F3N2O3S2
Molecular Weight406.45 g/mol
Exact Mass406.06
IUPAC Name1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H17F3N2O3S2/c17-16(18,19)24-13-3-5-15(6-4-13)26(22,23)21-9-7-20(8-10-21)12-14-2-1-11-25-14/h1-6,11H,7-10,12H2
InChIKeyQUNJWMLBXWEEDR-UHFFFAOYSA-N
XLogP3.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 17446186
2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30892099
1-(thiophen-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30990917
1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 60929020
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 30172844
1-naphthalen-2-ylsulfonyl-4-(thiophen-2-ylmethyl)piperazine;oxalic acid
CID 90481345
3-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 32705328
1-(3-fluorophenyl)sulfonyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 31774817
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 83084047
1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-4-ium
CID 2079401
1-pyridin-3-ylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 131936945

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine (CID 17422638) is 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The InChIKey is QUNJWMLBXWEEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S2/c17-16(18,19)24-13-3-5-15(6-4-13)26(22,23)21-9-7-20(8-10-21)12-14-2-1-11-25-14/h1-6,11H,7-10,12H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine has a molecular weight of 406.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 17422638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).