4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride

C18H23ClFN3O3S — CID 120756712

IUPAC4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(OCCN2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN3O3S.ClH/c19-15-3-1-2-14(12-15)18-13-21-8-9-22(18)10-11-25-16-4-6-17(7-5-16)26(20,23)24;/h1-7,12,18,21H,8-11,13H2,(H2,20,23,24);1H
InChIKeyXTGBZEGNEHDQBL-UHFFFAOYSA-N
MW415.92 g/mol
LogP1.92
Rot. Bonds6

About 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride

4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride (PubChem CID 120756712) has the molecular formula C18H23ClFN3O3S and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
PubChem CID120756712
Molecular FormulaC18H23ClFN3O3S
Molecular Weight415.92 g/mol
Exact Mass415.11
IUPAC Name4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(OCCN2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN3O3S.ClH/c19-15-3-1-2-14(12-15)18-13-21-8-9-22(18)10-11-25-16-4-6-17(7-5-16)26(20,23)24;/h1-7,12,18,21H,8-11,13H2,(H2,20,23,24);1H
InChIKeyXTGBZEGNEHDQBL-UHFFFAOYSA-N
XLogP1.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 120755301
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120870468
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
CID 120756264
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
1-[2-(3-methylsulfonylphenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120754265
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
ethyl 2-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]phenoxy]acetate;hydrochloride
CID 120768431
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
CID 120764950
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120756565
2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737113

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride (CID 120756712) is 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(OCCN2CCNCC2c2cccc(F)c2)cc1.
What is the InChIKey of 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride?
The InChIKey is XTGBZEGNEHDQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S.ClH/c19-15-3-1-2-14(12-15)18-13-21-8-9-22(18)10-11-25-16-4-6-17(7-5-16)26(20,23)24;/h1-7,12,18,21H,8-11,13H2,(H2,20,23,24);1H.
What are the key properties of 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride?
4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120756712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).