N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

C13H16F2N2O3S — CID 17023400

IUPACN-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17-6-2-3-9(8-17)13(18)16-12-7-10(14)4-5-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyYVZUKEGTSOQMIQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.57
Rot. Bonds3

About N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 17023400) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID17023400
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17-6-2-3-9(8-17)13(18)16-12-7-10(14)4-5-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyYVZUKEGTSOQMIQ-UHFFFAOYSA-N
XLogP1.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 43872856
N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 28550561
N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide
CID 131961579
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 28549971
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43972271
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-3-carboxamide
CID 1283960
N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335810
N-[5-(1,3-benzodioxole-5-carbonylamino)-2-fluorophenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43061966
N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 28550703
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 17023400) is N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2cc(F)ccc2F)C1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is YVZUKEGTSOQMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-21(19,20)17-6-2-3-9(8-17)13(18)16-12-7-10(14)4-5-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 1.57, 3 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-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 17023400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).