2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride

C18H23ClN2O4S — CID 120763094

IUPAC2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2c2ccccc2OC)cc1.Cl
InChIInChI=1S/C18H22N2O4S.ClH/c1-23-14-7-9-15(10-8-14)25(21,22)20-12-11-19-13-17(20)16-5-3-4-6-18(16)24-2;/h3-10,17,19H,11-13H2,1-2H3;1H
InChIKeySWSHPPWLIRVADR-UHFFFAOYSA-N
MW398.91 g/mol
LogP2.46
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride

2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 120763094) has the molecular formula C18H23ClN2O4S and a molecular weight of 398.91 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
PubChem CID120763094
Molecular FormulaC18H23ClN2O4S
Molecular Weight398.91 g/mol
Exact Mass398.11
IUPAC Name2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2c2ccccc2OC)cc1.Cl
InChIInChI=1S/C18H22N2O4S.ClH/c1-23-14-7-9-15(10-8-14)25(21,22)20-12-11-19-13-17(20)16-5-3-4-6-18(16)24-2;/h3-10,17,19H,11-13H2,1-2H3;1H
InChIKeySWSHPPWLIRVADR-UHFFFAOYSA-N
XLogP2.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.91
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide;hydrochloride
CID 120763352
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
CID 120763116
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763268
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763016
methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 120763445
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415
2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120763011
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride (CID 120763094) is 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride is COc1ccc(S(=O)(=O)N2CCNCC2c2ccccc2OC)cc1.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is SWSHPPWLIRVADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S.ClH/c1-23-14-7-9-15(10-8-14)25(21,22)20-12-11-19-13-17(20)16-5-3-4-6-18(16)24-2;/h3-10,17,19H,11-13H2,1-2H3;1H.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride?
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 398.91 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120763094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).