2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride

C13H20ClFN2O3S — CID 120764950

IUPAC2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
SMILESCOCCS(=O)(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C13H19FN2O3S.ClH/c1-19-7-8-20(17,18)16-6-5-15-10-13(16)11-3-2-4-12(14)9-11;/h2-4,9,13,15H,5-8,10H2,1H3;1H
InChIKeyIKYOONFKVBBSSG-UHFFFAOYSA-N
MW338.83 g/mol
LogP1.17
Rot. Bonds5

About 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride

2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride (PubChem CID 120764950) has the molecular formula C13H20ClFN2O3S and a molecular weight of 338.83 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
PubChem CID120764950
Molecular FormulaC13H20ClFN2O3S
Molecular Weight338.83 g/mol
Exact Mass338.09
IUPAC Name2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
SMILESCOCCS(=O)(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C13H19FN2O3S.ClH/c1-19-7-8-20(17,18)16-6-5-15-10-13(16)11-3-2-4-12(14)9-11;/h2-4,9,13,15H,5-8,10H2,1H3;1H
InChIKeyIKYOONFKVBBSSG-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride
CID 120765000
5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
CID 128964231
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine
CID 120764617
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
methyl 2-[[2-(3-fluorophenyl)piperazin-1-yl]sulfonylmethyl]benzoate
CID 120764675
1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
CID 120764648
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
methyl 3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzoate;hydrochloride
CID 120764505
methyl 4-fluoro-2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120764590
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
methyl 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate;hydrochloride
CID 120764459

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride (CID 120764950) is 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride is COCCS(=O)(=O)N1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride?
The InChIKey is IKYOONFKVBBSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S.ClH/c1-19-7-8-20(17,18)16-6-5-15-10-13(16)11-3-2-4-12(14)9-11;/h2-4,9,13,15H,5-8,10H2,1H3;1H.
What are the key properties of 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride?
2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride has a molecular weight of 338.83 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 120764950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).