2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

C16H17FN2O4S2 — CID 7750224

IUPAC2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17FN2O4S2/c17-13-3-5-14(6-4-13)23-12-15(20)18-7-9-19(10-8-18)25(21,22)16-2-1-11-24-16/h1-6,11H,7-10,12H2
InChIKeyOYSBYVQDVFHRGD-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.80
Rot. Bonds5

About 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 7750224) has the molecular formula C16H17FN2O4S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID7750224
Molecular FormulaC16H17FN2O4S2
Molecular Weight384.45 g/mol
Exact Mass384.06
IUPAC Name2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17FN2O4S2/c17-13-3-5-14(6-4-13)23-12-15(20)18-7-9-19(10-8-18)25(21,22)16-2-1-11-24-16/h1-6,11H,7-10,12H2
InChIKeyOYSBYVQDVFHRGD-UHFFFAOYSA-N
XLogP1.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8924494
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2971497
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110818300
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 4822189
2-(4-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4820535
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 71904291
2-(4-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8924861
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
CID 45374724
6-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-3H-1,3-benzothiazol-2-one
CID 53112693
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 43900929

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 7750224) is 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is O=C(COc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is OYSBYVQDVFHRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S2/c17-13-3-5-14(6-4-13)23-12-15(20)18-7-9-19(10-8-18)25(21,22)16-2-1-11-24-16/h1-6,11H,7-10,12H2.
What are the key properties of 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 384.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 7750224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).