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

C16H17BrN2O3S2 — CID 26868722

IUPAC2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17BrN2O3S2/c17-14-5-3-13(4-6-14)12-15(20)18-7-9-19(10-8-18)24(21,22)16-2-1-11-23-16/h1-6,11H,7-10,12H2
InChIKeyWDXRDMMGMCOGBF-UHFFFAOYSA-N
MW429.36 g/mol
LogP2.59
Rot. Bonds4

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

2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 26868722) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID26868722
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC Name2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17BrN2O3S2/c17-14-5-3-13(4-6-14)12-15(20)18-7-9-19(10-8-18)24(21,22)16-2-1-11-23-16/h1-6,11H,7-10,12H2
InChIKeyWDXRDMMGMCOGBF-UHFFFAOYSA-N
XLogP2.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
2-(4-bromophenyl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3676047
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 17145704
(3R)-3-methyl-5-oxo-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pentanoic acid
CID 40636083
N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide
CID 55814844
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 19531302
2-(1,2-benzoxazol-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9326726
2-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxylic acid
CID 19485695
2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 7750224

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 26868722) is 2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is O=C(Cc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is WDXRDMMGMCOGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c17-14-5-3-13(4-6-14)12-15(20)18-7-9-19(10-8-18)24(21,22)16-2-1-11-23-16/h1-6,11H,7-10,12H2.
What are the key properties of 2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 429.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 26868722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).