2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride

C14H23ClFN3O3S — CID 154911727

IUPAC2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCOc1ccccc1F)NCCN1CCNCC1
InChIInChI=1S/C14H22FN3O3S.ClH/c15-13-3-1-2-4-14(13)21-11-12-22(19,20)17-7-10-18-8-5-16-6-9-18;/h1-4,16-17H,5-12H2;1H
InChIKeyVTDFTBWBHMDBAV-UHFFFAOYSA-N
MW367.87 g/mol
LogP0.45
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride

2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride (PubChem CID 154911727) has the molecular formula C14H23ClFN3O3S and a molecular weight of 367.87 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
PubChem CID154911727
Molecular FormulaC14H23ClFN3O3S
Molecular Weight367.87 g/mol
Exact Mass367.11
IUPAC Name2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCOc1ccccc1F)NCCN1CCNCC1
InChIInChI=1S/C14H22FN3O3S.ClH/c15-13-3-1-2-4-14(13)21-11-12-22(19,20)17-7-10-18-8-5-16-6-9-18;/h1-4,16-17H,5-12H2;1H
InChIKeyVTDFTBWBHMDBAV-UHFFFAOYSA-N
XLogP0.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[2-(2,3-difluorophenoxy)ethyl]piperazine
CID 63037635
N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 120999796
N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide
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CID 119966256
2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966401
3-fluoro-2-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966171
1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine
CID 110638324
3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
CID 119994508
N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 63790846
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride (CID 154911727) is 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride is Cl.O=S(=O)(CCOc1ccccc1F)NCCN1CCNCC1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride?
The InChIKey is VTDFTBWBHMDBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O3S.ClH/c15-13-3-1-2-4-14(13)21-11-12-22(19,20)17-7-10-18-8-5-16-6-9-18;/h1-4,16-17H,5-12H2;1H.
What are the key properties of 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride?
2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride has a molecular weight of 367.87 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 154911727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).