1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone

C15H22N2O4S — CID 108569952

IUPAC1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)22(19,20)17-10-8-16(9-11-17)15(18)12-21-2/h4-7H,3,8-12H2,1-2H3
InChIKeyLLQSGDFLPORWDI-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.73
Rot. Bonds5

About 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone

1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone (PubChem CID 108569952) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
PubChem CID108569952
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)22(19,20)17-10-8-16(9-11-17)15(18)12-21-2/h4-7H,3,8-12H2,1-2H3
InChIKeyLLQSGDFLPORWDI-UHFFFAOYSA-N
XLogP0.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9495897
2-(4-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8924861
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
3-(diethylamino)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110422421
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-1-one
CID 108569435
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570041
[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 9230162
1-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 61109396
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 4850064
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422712
3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 108569551

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone (CID 108569952) is 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone is CCc1ccc(S(=O)(=O)N2CCN(C(=O)COC)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone?
The InChIKey is LLQSGDFLPORWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)22(19,20)17-10-8-16(9-11-17)15(18)12-21-2/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone?
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone has a molecular weight of 326.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 108569952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).