1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

C15H22N2O6S — CID 110817100

IUPAC1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O6S/c1-11(18)16-5-7-17(8-6-16)24(19,20)15-13(22-3)9-12(21-2)10-14(15)23-4/h9-10H,5-8H2,1-4H3
InChIKeyAQQUICWLSUWXEQ-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.57
Rot. Bonds5

About 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 110817100) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID110817100
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Name1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O6S/c1-11(18)16-5-7-17(8-6-16)24(19,20)15-13(22-3)9-12(21-2)10-14(15)23-4/h9-10H,5-8H2,1-4H3
InChIKeyAQQUICWLSUWXEQ-UHFFFAOYSA-N
XLogP0.57
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
1-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817974
ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818639
1-[4-(3-methoxy-4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 165373031
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
1-[4-(2-methoxy-4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 39617924
1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 60984608
3-(dimethylamino)-1-[4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603406
5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2,3-dimethoxybenzoic acid
CID 136578087
3-[3-(4-acetylpiperazin-1-yl)sulfonyl-4-methoxyphenyl]prop-2-enoic acid
CID 71902676
(2S,3S)-2-methyl-1-(2,4,6-trimethoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122104930

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone (CID 110817100) is 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone is COc1cc(OC)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)c1.
What is the InChIKey of 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is AQQUICWLSUWXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-11(18)16-5-7-17(8-6-16)24(19,20)15-13(22-3)9-12(21-2)10-14(15)23-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 358.42 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 110817100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).