2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

C16H16Cl2N2O3S2 — CID 18273497

IUPAC2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H16Cl2N2O3S2/c17-13-3-1-12(2-4-13)11-15(21)19-7-9-20(10-8-19)25(22,23)16-6-5-14(18)24-16/h1-6H,7-11H2
InChIKeyYLMVYODSJXMZQP-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.13
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 18273497) has the molecular formula C16H16Cl2N2O3S2 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID18273497
Molecular FormulaC16H16Cl2N2O3S2
Molecular Weight419.36 g/mol
Exact Mass418.00
IUPAC Name2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H16Cl2N2O3S2/c17-13-3-1-12(2-4-13)11-15(21)19-7-9-20(10-8-19)25(22,23)16-6-5-14(18)24-16/h1-6H,7-11H2
InChIKeyYLMVYODSJXMZQP-UHFFFAOYSA-N
XLogP3.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78773434
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 17145704
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 27768699
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110364906
4-amino-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one
CID 120587011
N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 31378805
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 31860238
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-phenylethylamino)ethanone
CID 112796511

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone (CID 18273497) is 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is YLMVYODSJXMZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S2/c17-13-3-1-12(2-4-13)11-15(21)19-7-9-20(10-8-19)25(22,23)16-6-5-14(18)24-16/h1-6H,7-11H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 419.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 18273497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).