N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride

C16H25ClFN3O3S — CID 120737225

IUPACN,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C16H24FN3O3S.ClH/c1-3-19(4-2)24(22,23)12-16(21)20-9-8-18-11-15(20)13-6-5-7-14(17)10-13;/h5-7,10,15,18H,3-4,8-9,11-12H2,1-2H3;1H
InChIKeySECLAGUWINKICT-UHFFFAOYSA-N
MW393.91 g/mol
LogP1.39
Rot. Bonds6

About N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride

N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride (PubChem CID 120737225) has the molecular formula C16H25ClFN3O3S and a molecular weight of 393.91 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
PubChem CID120737225
Molecular FormulaC16H25ClFN3O3S
Molecular Weight393.91 g/mol
Exact Mass393.13
IUPAC NameN,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C16H24FN3O3S.ClH/c1-3-19(4-2)24(22,23)12-16(21)20-9-8-18-11-15(20)13-6-5-7-14(17)10-13;/h5-7,10,15,18H,3-4,8-9,11-12H2,1-2H3;1H
InChIKeySECLAGUWINKICT-UHFFFAOYSA-N
XLogP1.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.91
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 120735579
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120737844
2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737496
(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736289

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride?
The IUPAC name of N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride (CID 120737225) is N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride?
The canonical SMILES for N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride is CCN(CC)S(=O)(=O)CC(=O)N1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride?
The InChIKey is SECLAGUWINKICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S.ClH/c1-3-19(4-2)24(22,23)12-16(21)20-9-8-18-11-15(20)13-6-5-7-14(17)10-13;/h5-7,10,15,18H,3-4,8-9,11-12H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride?
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride has a molecular weight of 393.91 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride is sourced from PubChem (CID 120737225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).