N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide

C14H18F2N2O3S — CID 28550703

IUPACN-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2N2O3S/c1-2-22(20,21)18-7-5-10(6-8-18)14(19)17-13-9-11(15)3-4-12(13)16/h3-4,9-10H,2,5-8H2,1H3,(H,17,19)
InChIKeyXVKHSXYSYRKSPS-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.97
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 28550703) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID28550703
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC NameN-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2N2O3S/c1-2-22(20,21)18-7-5-10(6-8-18)14(19)17-13-9-11(15)3-4-12(13)16/h3-4,9-10H,2,5-8H2,1H3,(H,17,19)
InChIKeyXVKHSXYSYRKSPS-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 28550390
N-(5-chloro-2-hydroxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 2953828
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 30854662
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-(2,5-dichlorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642633
N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151145

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 28550703) is N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is XVKHSXYSYRKSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-2-22(20,21)18-7-5-10(6-8-18)14(19)17-13-9-11(15)3-4-12(13)16/h3-4,9-10H,2,5-8H2,1H3,(H,17,19).
What are the key properties of N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 28550703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).