1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride

C17H19Cl2FN2O3S — CID 120763415

IUPAC1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1cccc(Cl)c1F.Cl
InChIInChI=1S/C17H18ClFN2O3S.ClH/c1-24-15-7-3-2-5-12(15)14-11-20-9-10-21(14)25(22,23)16-8-4-6-13(18)17(16)19;/h2-8,14,20H,9-11H2,1H3;1H
InChIKeyZBIRKUQXZKVNHZ-UHFFFAOYSA-N
MW421.32 g/mol
LogP3.24
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride

1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 120763415) has the molecular formula C17H19Cl2FN2O3S and a molecular weight of 421.32 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID120763415
Molecular FormulaC17H19Cl2FN2O3S
Molecular Weight421.32 g/mol
Exact Mass420.05
IUPAC Name1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1cccc(Cl)c1F.Cl
InChIInChI=1S/C17H18ClFN2O3S.ClH/c1-24-15-7-3-2-5-12(15)14-11-20-9-10-21(14)25(22,23)16-8-4-6-13(18)17(16)19;/h2-8,14,20H,9-11H2,1H3;1H
InChIKeyZBIRKUQXZKVNHZ-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 53.24
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-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 120763173
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 120763492
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763268
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)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
1-(3-chloro-2-fluorophenyl)sulfonylpiperazine-2-carbonitrile
CID 79091763

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride (CID 120763415) is 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride is COc1ccccc1C1CNCCN1S(=O)(=O)c1cccc(Cl)c1F.Cl.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is ZBIRKUQXZKVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S.ClH/c1-24-15-7-3-2-5-12(15)14-11-20-9-10-21(14)25(22,23)16-8-4-6-13(18)17(16)19;/h2-8,14,20H,9-11H2,1H3;1H.
What are the key properties of 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 421.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 120763415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).