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

C18H23ClN2O3S — CID 120763471

IUPAC2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1ccccc1C.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-14-7-3-6-10-18(14)24(21,22)20-12-11-19-13-16(20)15-8-4-5-9-17(15)23-2;/h3-10,16,19H,11-13H2,1-2H3;1H
InChIKeyLDSCEDOEWMMPOE-UHFFFAOYSA-N
MW382.91 g/mol
LogP2.76
Rot. Bonds4

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

2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 120763471) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID120763471
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1ccccc1C.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-14-7-3-6-10-18(14)24(21,22)20-12-11-19-13-16(20)15-8-4-5-9-17(15)23-2;/h3-10,16,19H,11-13H2,1-2H3;1H
InChIKeyLDSCEDOEWMMPOE-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763016
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 120763173
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120763453
3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 120763492
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methoxyphenyl)piperazine
CID 120763175
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
CID 120763116
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride (CID 120763471) is 2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride is COc1ccccc1C1CNCCN1S(=O)(=O)c1ccccc1C.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is LDSCEDOEWMMPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S.ClH/c1-14-7-3-6-10-18(14)24(21,22)20-12-11-19-13-16(20)15-8-4-5-9-17(15)23-2;/h3-10,16,19H,11-13H2,1-2H3;1H.
What are the key properties of 2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride?
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120763471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).