[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone

C15H16N4O3S — CID 27509869

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H16N4O3S/c20-15(14-12-16-6-7-17-14)18-8-10-19(11-9-18)23(21,22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyMGPQFILLJVOKQA-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.62
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone

[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 27509869) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID27509869
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H16N4O3S/c20-15(14-12-16-6-7-17-14)18-8-10-19(11-9-18)23(21,22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyMGPQFILLJVOKQA-UHFFFAOYSA-N
XLogP0.62
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyrazin-2-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 9496702
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrazin-2-ylmethanone
CID 27563231
pyrazin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810480
[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 52510809
pyrazin-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 29436988
[4-(2-phenylethylsulfonyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 110810537
2,2-diphenyl-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108544412
pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 110805442
[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 38820717
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone
CID 7678415
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyrazin-2-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone (CID 27509869) is [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is MGPQFILLJVOKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-15(14-12-16-6-7-17-14)18-8-10-19(11-9-18)23(21,22)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 332.38 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 27509869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).