1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine

C21H28N2O5S — CID 8804090

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(CCOc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H28N2O5S/c1-17-4-6-18(7-5-17)28-15-14-22-10-12-23(13-11-22)29(24,25)21-16-19(26-2)8-9-20(21)27-3/h4-9,16H,10-15H2,1-3H3
InChIKeyGIIGYIQJADLORN-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.40
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine (PubChem CID 8804090) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
PubChem CID8804090
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(CCOc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H28N2O5S/c1-17-4-6-18(7-5-17)28-15-14-22-10-12-23(13-11-22)29(24,25)21-16-19(26-2)8-9-20(21)27-3/h4-9,16H,10-15H2,1-3H3
InChIKeyGIIGYIQJADLORN-UHFFFAOYSA-N
XLogP2.40
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 110638181
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534054
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 110409854
1-butyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113072830
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine
CID 3836701
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 31734856
2-(4-methylphenoxy)ethyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 3291839
5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]sulfonyl-1H-indole-2,3-dione
CID 175455262
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684880

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine (CID 8804090) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(CCOc3ccc(C)cc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine?
The InChIKey is GIIGYIQJADLORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-17-4-6-18(7-5-17)28-15-14-22-10-12-23(13-11-22)29(24,25)21-16-19(26-2)8-9-20(21)27-3/h4-9,16H,10-15H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine has a molecular weight of 420.53 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine is sourced from PubChem (CID 8804090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).