N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide

C14H19FN2O3S — CID 110823002

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-2-21(19,20)17-8-6-13(7-9-17)16-14(18)11-4-3-5-12(15)10-11/h3-5,10,13H,2,6-9H2,1H3,(H,16,18)
InChIKeyCIJRDGIQXPMCEW-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.37
Rot. Bonds4

About N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide

N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide (PubChem CID 110823002) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
PubChem CID110823002
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-2-21(19,20)17-8-6-13(7-9-17)16-14(18)11-4-3-5-12(15)10-11/h3-5,10,13H,2,6-9H2,1H3,(H,16,18)
InChIKeyCIJRDGIQXPMCEW-UHFFFAOYSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
CID 42590095
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide (CID 110823002) is N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide is CCS(=O)(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide?
The InChIKey is CIJRDGIQXPMCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-2-21(19,20)17-8-6-13(7-9-17)16-14(18)11-4-3-5-12(15)10-11/h3-5,10,13H,2,6-9H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide?
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide has a molecular weight of 314.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide is sourced from PubChem (CID 110823002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).