N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide

C13H16F2N2O3S — CID 646174

IUPACN-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17-6-4-9(5-7-17)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeySXEABIWWDSZCKE-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.57
Rot. Bonds3

About N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 646174) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID646174
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17-6-4-9(5-7-17)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeySXEABIWWDSZCKE-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-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 646174) is N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is SXEABIWWDSZCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-21(19,20)17-6-4-9(5-7-17)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-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-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 646174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).