1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

C22H30N2O4S — CID 1260962

IUPAC1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C22H30N2O4S/c1-5-27-19-10-11-21(28-6-2)22(16-19)29(25,26)24-14-12-23(13-15-24)20-9-7-8-17(3)18(20)4/h7-11,16H,5-6,12-15H2,1-4H3
InChIKeyOMGDALUGDLWXSK-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.61
Rot. Bonds7

About 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (PubChem CID 1260962) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
PubChem CID1260962
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C22H30N2O4S/c1-5-27-19-10-11-21(28-6-2)22(16-19)29(25,26)24-14-12-23(13-15-24)20-9-7-8-17(3)18(20)4/h7-11,16H,5-6,12-15H2,1-4H3
InChIKeyOMGDALUGDLWXSK-UHFFFAOYSA-N
XLogP3.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (CID 1260962) is 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is OMGDALUGDLWXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-27-19-10-11-21(28-6-2)22(16-19)29(25,26)24-14-12-23(13-15-24)20-9-7-8-17(3)18(20)4/h7-11,16H,5-6,12-15H2,1-4H3.
What are the key properties of 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 418.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 1260962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).