1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C13H16F2N2O3S — CID 33039644

IUPAC1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H16F2N2O3S/c1-16-13(18)9-5-7-17(8-6-9)21(19,20)12-10(14)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyUJPNHMMCZYCJCN-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.11
Rot. Bonds3

About 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 33039644) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID33039644
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H16F2N2O3S/c1-16-13(18)9-5-7-17(8-6-9)21(19,20)12-10(14)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyUJPNHMMCZYCJCN-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 38255420
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285254
1-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709783
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 43579055
N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31109375
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 60789324
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 33039644) is 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is UJPNHMMCZYCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-16-13(18)9-5-7-17(8-6-9)21(19,20)12-10(14)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3,(H,16,18).
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 33039644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).