5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide

C7H7F3N2O4S — CID 134680234

IUPAC5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
SMILESCc1c[nH]c(OC(F)(F)F)c(S(N)(=O)=O)c1=O
InChIInChI=1S/C7H7F3N2O4S/c1-3-2-12-6(16-7(8,9)10)5(4(3)13)17(11,14)15/h2H,1H3,(H,12,13)(H2,11,14,15)
InChIKeyHCUIPPAYRRZNJN-UHFFFAOYSA-N
MW272.20 g/mol
LogP0.23
Rot. Bonds2

About 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide

5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide (PubChem CID 134680234) has the molecular formula C7H7F3N2O4S and a molecular weight of 272.20 g/mol. Its IUPAC name is 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
PubChem CID134680234
Molecular FormulaC7H7F3N2O4S
Molecular Weight272.20 g/mol
Exact Mass272.01
IUPAC Name5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
SMILESCc1c[nH]c(OC(F)(F)F)c(S(N)(=O)=O)c1=O
InChIInChI=1S/C7H7F3N2O4S/c1-3-2-12-6(16-7(8,9)10)5(4(3)13)17(11,14)15/h2H,1H3,(H,12,13)(H2,11,14,15)
InChIKeyHCUIPPAYRRZNJN-UHFFFAOYSA-N
XLogP0.23
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide (CID 134680234) is 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide is Cc1c[nH]c(OC(F)(F)F)c(S(N)(=O)=O)c1=O.
What is the InChIKey of 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide?
The InChIKey is HCUIPPAYRRZNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O4S/c1-3-2-12-6(16-7(8,9)10)5(4(3)13)17(11,14)15/h2H,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide?
5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide has a molecular weight of 272.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 134680234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).