1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone

C13H18N2O4S — CID 47104113

IUPAC1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H18N2O4S/c1-11(16)14-7-9-15(10-8-14)20(17,18)13-6-4-3-5-12(13)19-2/h3-6H,7-10H2,1-2H3
InChIKeyWXLIWDUQXUEYJL-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.55
Rot. Bonds3

About 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone

1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 47104113) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID47104113
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H18N2O4S/c1-11(16)14-7-9-15(10-8-14)20(17,18)13-6-4-3-5-12(13)19-2/h3-6H,7-10H2,1-2H3
InChIKeyWXLIWDUQXUEYJL-UHFFFAOYSA-N
XLogP0.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110818318
[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805410
N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811227
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902438
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305
1-[4-(2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797287
1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657
1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123808
1-[4-(2-methoxy-4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 39617924
hydron;1-(2-methoxyphenyl)sulfonylpiperazine;chloride
CID 51066589
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
3-[3-(4-acetylpiperazin-1-yl)sulfonyl-4-methoxyphenyl]prop-2-enoic acid
CID 71902676

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone (CID 47104113) is 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone is COc1ccccc1S(=O)(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is WXLIWDUQXUEYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-11(16)14-7-9-15(10-8-14)20(17,18)13-6-4-3-5-12(13)19-2/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 298.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 47104113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).