1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone

C14H18N2O4S — CID 2562591

IUPAC1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C14H18N2O4S/c1-11(17)13-3-5-14(6-4-13)21(19,20)16-9-7-15(8-10-16)12(2)18/h3-6H,7-10H2,1-2H3
InChIKeyASZVQHGUIWKXTJ-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.74
Rot. Bonds3

About 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone

1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone (PubChem CID 2562591) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone
PubChem CID2562591
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C14H18N2O4S/c1-11(17)13-3-5-14(6-4-13)21(19,20)16-9-7-15(8-10-16)12(2)18/h3-6H,7-10H2,1-2H3
InChIKeyASZVQHGUIWKXTJ-UHFFFAOYSA-N
XLogP0.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone (CID 2562591) is 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone?
The InChIKey is ASZVQHGUIWKXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11(17)13-3-5-14(6-4-13)21(19,20)16-9-7-15(8-10-16)12(2)18/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone?
1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone has a molecular weight of 310.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 2562591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).