3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide

C20H23FN2O3S — CID 109065546

IUPAC3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O3S/c1-2-18-7-3-4-13-23(18)27(25,26)19-8-5-6-15(14-19)20(24)22-17-11-9-16(21)10-12-17/h5-6,8-12,14,18H,2-4,7,13H2,1H3,(H,22,24)
InChIKeyJVMFXDAFPXWFLW-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.03
Rot. Bonds5

About 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide

3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide (PubChem CID 109065546) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
PubChem CID109065546
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O3S/c1-2-18-7-3-4-13-23(18)27(25,26)19-8-5-6-15(14-19)20(24)22-17-11-9-16(21)10-12-17/h5-6,8-12,14,18H,2-4,7,13H2,1H3,(H,22,24)
InChIKeyJVMFXDAFPXWFLW-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852
3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4664347
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 6467830
N-(4-fluoro-3-isocyanophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 123478458
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
2-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828974
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 4860087

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide (CID 109065546) is 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide is CCC1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide?
The InChIKey is JVMFXDAFPXWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-2-18-7-3-4-13-23(18)27(25,26)19-8-5-6-15(14-19)20(24)22-17-11-9-16(21)10-12-17/h5-6,8-12,14,18H,2-4,7,13H2,1H3,(H,22,24).
What are the key properties of 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide?
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide has a molecular weight of 390.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 109065546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).