1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide

C13H11F3N2O4S — CID 11256540

IUPAC1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide
SMILESCOc1ccc(Oc2cnccc2NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O4S/c1-21-9-2-4-10(5-3-9)22-12-8-17-7-6-11(12)18-23(19,20)13(14,15)16/h2-8H,1H3,(H,17,18)
InChIKeyMDPRFMFQKOLHCO-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.14
Rot. Bonds5

About 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide

1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide (PubChem CID 11256540) has the molecular formula C13H11F3N2O4S and a molecular weight of 348.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide
PubChem CID11256540
Molecular FormulaC13H11F3N2O4S
Molecular Weight348.30 g/mol
Exact Mass348.04
IUPAC Name1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide
SMILESCOc1ccc(Oc2cnccc2NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O4S/c1-21-9-2-4-10(5-3-9)22-12-8-17-7-6-11(12)18-23(19,20)13(14,15)16/h2-8H,1H3,(H,17,18)
InChIKeyMDPRFMFQKOLHCO-UHFFFAOYSA-N
XLogP3.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide (CID 11256540) is 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide is COc1ccc(Oc2cnccc2NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide?
The InChIKey is MDPRFMFQKOLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4S/c1-21-9-2-4-10(5-3-9)22-12-8-17-7-6-11(12)18-23(19,20)13(14,15)16/h2-8H,1H3,(H,17,18).
What are the key properties of 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide?
1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide has a molecular weight of 348.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[3-(4-methoxyphenoxy)-4-pyridinyl]methanesulfonamide is sourced from PubChem (CID 11256540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).