1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride

C17H19ClF2N2O3S — CID 120763166

IUPAC1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C17H18F2N2O3S.ClH/c1-24-16-5-3-2-4-13(16)15-11-20-8-9-21(15)25(22,23)17-7-6-12(18)10-14(17)19;/h2-7,10,15,20H,8-9,11H2,1H3;1H
InChIKeyUQKYQTRAZWHJJT-UHFFFAOYSA-N
MW404.87 g/mol
LogP2.73
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride

1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 120763166) has the molecular formula C17H19ClF2N2O3S and a molecular weight of 404.87 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID120763166
Molecular FormulaC17H19ClF2N2O3S
Molecular Weight404.87 g/mol
Exact Mass404.08
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C17H18F2N2O3S.ClH/c1-24-16-5-3-2-4-13(16)15-11-20-8-9-21(15)25(22,23)17-7-6-12(18)10-14(17)19;/h2-7,10,15,20H,8-9,11H2,1H3;1H
InChIKeyUQKYQTRAZWHJJT-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 120763492
1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763016
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763268
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 120763173
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
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride (CID 120763166) is 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride is COc1ccccc1C1CNCCN1S(=O)(=O)c1ccc(F)cc1F.Cl.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is UQKYQTRAZWHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S.ClH/c1-24-16-5-3-2-4-13(16)15-11-20-8-9-21(15)25(22,23)17-7-6-12(18)10-14(17)19;/h2-7,10,15,20H,8-9,11H2,1H3;1H.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 404.87 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 120763166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).