1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine

C20H26N2O3S — CID 110638181

IUPAC1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-17-7-9-19(10-8-17)25-16-15-21-11-13-22(14-12-21)26(23,24)20-6-4-3-5-18(20)2/h3-10H,11-16H2,1-2H3
InChIKeyDLOFMWPAKPSUCF-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.69
Rot. Bonds6

About 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine

1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 110638181) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID110638181
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-17-7-9-19(10-8-17)25-16-15-21-11-13-22(14-12-21)26(23,24)20-6-4-3-5-18(20)2/h3-10H,11-16H2,1-2H3
InChIKeyDLOFMWPAKPSUCF-UHFFFAOYSA-N
XLogP2.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 110409854
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 8804090
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 8559446
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]sulfonyl-1H-indole-2,3-dione
CID 175455262
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 110290792
1-[2-(2-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 8746545
1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine
CID 110638281
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391115
1-[3-[bis(4-chlorophenyl)methoxy]propyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 46102582

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine (CID 110638181) is 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine is Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is DLOFMWPAKPSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-17-7-9-19(10-8-17)25-16-15-21-11-13-22(14-12-21)26(23,24)20-6-4-3-5-18(20)2/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine?
1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine has a molecular weight of 374.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110638181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).