1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine

C20H26N2O6S — CID 5000474

IUPAC1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1
InChIInChI=1S/C20H26N2O6S/c1-25-15-5-7-17(19(13-15)27-3)21-9-11-22(12-10-21)29(23,24)16-6-8-18(26-2)20(14-16)28-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyGWKXLQDWWMYLDE-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.23
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine

1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 5000474) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
PubChem CID5000474
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1
InChIInChI=1S/C20H26N2O6S/c1-25-15-5-7-17(19(13-15)27-3)21-9-11-22(12-10-21)29(23,24)16-6-8-18(26-2)20(14-16)28-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyGWKXLQDWWMYLDE-UHFFFAOYSA-N
XLogP2.23
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853
1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077949
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine
CID 6737037
1-[7-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoroethanone
CID 3295046
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine (CID 5000474) is 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine is COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is GWKXLQDWWMYLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-25-15-5-7-17(19(13-15)27-3)21-9-11-22(12-10-21)29(23,24)16-6-8-18(26-2)20(14-16)28-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 422.50 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 5000474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).