2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride

C20H27ClN2O3S — CID 120765523

IUPAC2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)c2ccccc2COC)cc1.Cl
InChIInChI=1S/C20H26N2O3S.ClH/c1-3-16-8-10-17(11-9-16)19-14-21-12-13-22(19)26(23,24)20-7-5-4-6-18(20)15-25-2;/h4-11,19,21H,3,12-15H2,1-2H3;1H
InChIKeyGMXHCJVMLMGUJM-UHFFFAOYSA-N
MW410.97 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride

2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride (PubChem CID 120765523) has the molecular formula C20H27ClN2O3S and a molecular weight of 410.97 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
PubChem CID120765523
Molecular FormulaC20H27ClN2O3S
Molecular Weight410.97 g/mol
Exact Mass410.14
IUPAC Name2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)c2ccccc2COC)cc1.Cl
InChIInChI=1S/C20H26N2O3S.ClH/c1-3-16-8-10-17(11-9-16)19-14-21-12-13-22(19)26(23,24)20-7-5-4-6-18(20)15-25-2;/h4-11,19,21H,3,12-15H2,1-2H3;1H
InChIKeyGMXHCJVMLMGUJM-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765370
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride
CID 120765362
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 120765584
1-but-3-enylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765493
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylpyridine-2-carboxylate;hydrochloride
CID 120765525
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-2-methylfuran-3-carboxylate;hydrochloride
CID 120765513
ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 120765458
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-3,5-difluorobenzonitrile
CID 120765606
2-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876816
methyl 3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzoate;hydrochloride
CID 120764505

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride (CID 120765523) is 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride is CCc1ccc(C2CNCCN2S(=O)(=O)c2ccccc2COC)cc1.Cl.
What is the InChIKey of 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride?
The InChIKey is GMXHCJVMLMGUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S.ClH/c1-3-16-8-10-17(11-9-16)19-14-21-12-13-22(19)26(23,24)20-7-5-4-6-18(20)15-25-2;/h4-11,19,21H,3,12-15H2,1-2H3;1H.
What are the key properties of 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride?
2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride has a molecular weight of 410.97 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120765523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).