N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

C13H16F2N2O3S — CID 6461637

IUPACN-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17-7-3-4-9(8-17)13(18)16-12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,18)
InChIKeyLTIHYDFQOLRAHR-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.57
Rot. Bonds3

About N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 6461637) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID6461637
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17-7-3-4-9(8-17)13(18)16-12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,18)
InChIKeyLTIHYDFQOLRAHR-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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 6461637) is N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2c(F)cccc2F)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is LTIHYDFQOLRAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-21(19,20)17-7-3-4-9(8-17)13(18)16-12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2,6-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-(2,6-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 6461637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).