4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide

C8H9F3N2O4S — CID 134660596

IUPAC4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESCOc1c(OC(F)(F)F)cnc(S(N)(=O)=O)c1C
InChIInChI=1S/C8H9F3N2O4S/c1-4-6(16-2)5(17-8(9,10)11)3-13-7(4)18(12,14)15/h3H,1-2H3,(H2,12,14,15)
InChIKeyWUQKPARMXFJHOP-UHFFFAOYSA-N
MW286.23 g/mol
LogP0.94
Rot. Bonds3

About 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide

4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide (PubChem CID 134660596) has the molecular formula C8H9F3N2O4S and a molecular weight of 286.23 g/mol. Its IUPAC name is 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
PubChem CID134660596
Molecular FormulaC8H9F3N2O4S
Molecular Weight286.23 g/mol
Exact Mass286.02
IUPAC Name4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESCOc1c(OC(F)(F)F)cnc(S(N)(=O)=O)c1C
InChIInChI=1S/C8H9F3N2O4S/c1-4-6(16-2)5(17-8(9,10)11)3-13-7(4)18(12,14)15/h3H,1-2H3,(H2,12,14,15)
InChIKeyWUQKPARMXFJHOP-UHFFFAOYSA-N
XLogP0.94
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide?
The IUPAC name of 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide (CID 134660596) is 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide is COc1c(OC(F)(F)F)cnc(S(N)(=O)=O)c1C.
What is the InChIKey of 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide?
The InChIKey is WUQKPARMXFJHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O4S/c1-4-6(16-2)5(17-8(9,10)11)3-13-7(4)18(12,14)15/h3H,1-2H3,(H2,12,14,15).
What are the key properties of 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide?
4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide has a molecular weight of 286.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 134660596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).