2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide

C19H28FN3O3S — CID 120735579

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCNCC2c2cccc(F)c2)CC1
InChIInChI=1S/C19H28FN3O3S/c1-14-5-7-17(8-6-14)22-27(25,26)13-19(24)23-10-9-21-12-18(23)15-3-2-4-16(20)11-15/h2-4,11,14,17-18,21-22H,5-10,12-13H2,1H3
InChIKeyHPFAFKIQNDRUIT-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.80
Rot. Bonds5

About 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide (PubChem CID 120735579) has the molecular formula C19H28FN3O3S and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
PubChem CID120735579
Molecular FormulaC19H28FN3O3S
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCNCC2c2cccc(F)c2)CC1
InChIInChI=1S/C19H28FN3O3S/c1-14-5-7-17(8-6-14)22-27(25,26)13-19(24)23-10-9-21-12-18(23)15-3-2-4-16(20)11-15/h2-4,11,14,17-18,21-22H,5-10,12-13H2,1H3
InChIKeyHPFAFKIQNDRUIT-UHFFFAOYSA-N
XLogP1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.80
H-Bond Donors ≤ 52
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-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
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
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-propylsulfonylethanone
CID 120801882
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride
CID 120737317
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide (CID 120735579) is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide is CC1CCC(NS(=O)(=O)CC(=O)N2CCNCC2c2cccc(F)c2)CC1.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
The InChIKey is HPFAFKIQNDRUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3S/c1-14-5-7-17(8-6-14)22-27(25,26)13-19(24)23-10-9-21-12-18(23)15-3-2-4-16(20)11-15/h2-4,11,14,17-18,21-22H,5-10,12-13H2,1H3.
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide is sourced from PubChem (CID 120735579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).