1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine

C20H26N2O3S — CID 110638281

IUPAC1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(CCOc3ccccc3C)CC2)c1
InChIInChI=1S/C20H26N2O3S/c1-17-6-5-8-19(16-17)26(23,24)22-12-10-21(11-13-22)14-15-25-20-9-4-3-7-18(20)2/h3-9,16H,10-15H2,1-2H3
InChIKeyWYJOPEXDERKZEZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.69
Rot. Bonds6

About 1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine

1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine (PubChem CID 110638281) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine
PubChem CID110638281
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(CCOc3ccccc3C)CC2)c1
InChIInChI=1S/C20H26N2O3S/c1-17-6-5-8-19(16-17)26(23,24)22-12-10-21(11-13-22)14-15-25-20-9-4-3-7-18(20)2/h3-9,16H,10-15H2,1-2H3
InChIKeyWYJOPEXDERKZEZ-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-(2-methylphenoxy)ethyl]piperazine
CID 110638277
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
1-[2-(2-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 8746545
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 35904196
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 110409854
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 110638181
1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 17358154
3-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9301114
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethoxy]phenyl]ethanone
CID 27125267
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine (CID 110638281) is 1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine is Cc1cccc(S(=O)(=O)N2CCN(CCOc3ccccc3C)CC2)c1.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine?
The InChIKey is WYJOPEXDERKZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-17-6-5-8-19(16-17)26(23,24)22-12-10-21(11-13-22)14-15-25-20-9-4-3-7-18(20)2/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine?
1-[2-(2-methylphenoxy)ethyl]-4-(3-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-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110638281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).