6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide

C7H6F4N2O4S — CID 134676179

IUPAC6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESCOc1cc(OC(F)(F)F)c(S(N)(=O)=O)nc1F
InChIInChI=1S/C7H6F4N2O4S/c1-16-3-2-4(17-7(9,10)11)6(13-5(3)8)18(12,14)15/h2H,1H3,(H2,12,14,15)
InChIKeyCCPBLAJUHZUREX-UHFFFAOYSA-N
MW290.19 g/mol
LogP0.78
Rot. Bonds3

About 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide

6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide (PubChem CID 134676179) has the molecular formula C7H6F4N2O4S and a molecular weight of 290.19 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide
PubChem CID134676179
Molecular FormulaC7H6F4N2O4S
Molecular Weight290.19 g/mol
Exact Mass290.00
IUPAC Name6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESCOc1cc(OC(F)(F)F)c(S(N)(=O)=O)nc1F
InChIInChI=1S/C7H6F4N2O4S/c1-16-3-2-4(17-7(9,10)11)6(13-5(3)8)18(12,14)15/h2H,1H3,(H2,12,14,15)
InChIKeyCCPBLAJUHZUREX-UHFFFAOYSA-N
XLogP0.78
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-3-methoxy-6-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659583
3-hydroxy-6-methoxy-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659587
5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134666720
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
6-amino-5-cyano-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 133094791
4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660596
6-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134679348
2-methoxy-6-(trifluoromethoxy)benzenesulfonamide
CID 125434816
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266
6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 119021551
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
4-amino-2-methoxy-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118840565

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The IUPAC name of 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide (CID 134676179) is 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide is COc1cc(OC(F)(F)F)c(S(N)(=O)=O)nc1F.
What is the InChIKey of 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The InChIKey is CCPBLAJUHZUREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O4S/c1-16-3-2-4(17-7(9,10)11)6(13-5(3)8)18(12,14)15/h2H,1H3,(H2,12,14,15).
What are the key properties of 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide?
6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide has a molecular weight of 290.19 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 134676179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).