N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide

C14H16N2O3S — CID 42878479

IUPACN-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide
SMILESCc1cccc(C)c1Oc1ccc(NS(C)(=O)=O)cn1
InChIInChI=1S/C14H16N2O3S/c1-10-5-4-6-11(2)14(10)19-13-8-7-12(9-15-13)16-20(3,17)18/h4-9,16H,1-3H3
InChIKeyJRQAIYIAQWIKPH-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.86
Rot. Bonds4

About N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide

N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide (PubChem CID 42878479) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide
PubChem CID42878479
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide
SMILESCc1cccc(C)c1Oc1ccc(NS(C)(=O)=O)cn1
InChIInChI=1S/C14H16N2O3S/c1-10-5-4-6-11(2)14(10)19-13-8-7-12(9-15-13)16-20(3,17)18/h4-9,16H,1-3H3
InChIKeyJRQAIYIAQWIKPH-UHFFFAOYSA-N
XLogP2.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide (CID 42878479) is N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide is Cc1cccc(C)c1Oc1ccc(NS(C)(=O)=O)cn1.
What is the InChIKey of N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide?
The InChIKey is JRQAIYIAQWIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-5-4-6-11(2)14(10)19-13-8-7-12(9-15-13)16-20(3,17)18/h4-9,16H,1-3H3.
What are the key properties of N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide?
N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 42878479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).