N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide

C13H14N2O4S — CID 10708915

IUPACN-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide
SMILESCOc1ccc(Oc2cnccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C13H14N2O4S/c1-18-10-3-5-11(6-4-10)19-13-9-14-8-7-12(13)15-20(2,16)17/h3-9H,1-2H3,(H,14,15)
InChIKeySJQYXSIKYYHNSV-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.25
Rot. Bonds5

About N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide

N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide (PubChem CID 10708915) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide
PubChem CID10708915
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide
SMILESCOc1ccc(Oc2cnccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C13H14N2O4S/c1-18-10-3-5-11(6-4-10)19-13-9-14-8-7-12(13)15-20(2,16)17/h3-9H,1-2H3,(H,14,15)
InChIKeySJQYXSIKYYHNSV-UHFFFAOYSA-N
XLogP2.25
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide?
The IUPAC name of N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide (CID 10708915) is N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide is COc1ccc(Oc2cnccc2NS(C)(=O)=O)cc1.
What is the InChIKey of N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide?
The InChIKey is SJQYXSIKYYHNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-18-10-3-5-11(6-4-10)19-13-9-14-8-7-12(13)15-20(2,16)17/h3-9H,1-2H3,(H,14,15).
What are the key properties of N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide?
N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide is sourced from PubChem (CID 10708915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).