2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

C16H16ClFN2O3S2 — CID 2551192

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H16ClFN2O3S2/c17-13-3-1-4-14(18)12(13)11-15(21)19-6-8-20(9-7-19)25(22,23)16-5-2-10-24-16/h1-5,10H,6-9,11H2
InChIKeyCHEZWCYOBSHKDQ-UHFFFAOYSA-N
MW402.90 g/mol
LogP2.62
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 2551192) has the molecular formula C16H16ClFN2O3S2 and a molecular weight of 402.90 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID2551192
Molecular FormulaC16H16ClFN2O3S2
Molecular Weight402.90 g/mol
Exact Mass402.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H16ClFN2O3S2/c17-13-3-1-4-14(18)12(13)11-15(21)19-6-8-20(9-7-19)25(22,23)16-5-2-10-24-16/h1-5,10H,6-9,11H2
InChIKeyCHEZWCYOBSHKDQ-UHFFFAOYSA-N
XLogP2.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 2551192) is 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is O=C(Cc1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is CHEZWCYOBSHKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S2/c17-13-3-1-4-14(18)12(13)11-15(21)19-6-8-20(9-7-19)25(22,23)16-5-2-10-24-16/h1-5,10H,6-9,11H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 402.90 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2551192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).