5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid

C17H18N4O5S — CID 122052854

IUPAC5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnc(C(=O)O)cn3)CC2)cc1
InChIInChI=1S/C17H18N4O5S/c1-12(22)13-2-4-14(5-3-13)27(25,26)21-8-6-20(7-9-21)16-11-18-15(10-19-16)17(23)24/h2-5,10-11H,6-9H2,1H3,(H,23,24)
InChIKeyCAJOZMLPQHADHO-UHFFFAOYSA-N
MW390.42 g/mol
LogP0.89
Rot. Bonds5

About 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122052854) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122052854
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnc(C(=O)O)cn3)CC2)cc1
InChIInChI=1S/C17H18N4O5S/c1-12(22)13-2-4-14(5-3-13)27(25,26)21-8-6-20(7-9-21)16-11-18-15(10-19-16)17(23)24/h2-5,10-11H,6-9H2,1H3,(H,23,24)
InChIKeyCAJOZMLPQHADHO-UHFFFAOYSA-N
XLogP0.89
TPSA120.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoic acid
CID 108781305
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
1-[4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 110646229
1-[4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26454973
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
1-[4-[4-amino-4-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 137480244
1-[4-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 55636005
6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122047573
3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317857
1-[4-[4-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 139582970

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid (CID 122052854) is 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid is CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnc(C(=O)O)cn3)CC2)cc1.
What is the InChIKey of 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is CAJOZMLPQHADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-12(22)13-2-4-14(5-3-13)27(25,26)21-8-6-20(7-9-21)16-11-18-15(10-19-16)17(23)24/h2-5,10-11H,6-9H2,1H3,(H,23,24).
What are the key properties of 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 390.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122052854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).