4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide

C6H3BrF4N2O3S — CID 118838899

IUPAC4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OC(F)(F)F)c(F)n1
InChIInChI=1S/C6H3BrF4N2O3S/c7-2-1-3(17(12,14)15)13-5(8)4(2)16-6(9,10)11/h1H,(H2,12,14,15)
InChIKeyHEXHYRJKEXJJPJ-UHFFFAOYSA-N
MW339.06 g/mol
LogP1.53
Rot. Bonds2

About 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide

4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide (PubChem CID 118838899) has the molecular formula C6H3BrF4N2O3S and a molecular weight of 339.06 g/mol. Its IUPAC name is 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide
PubChem CID118838899
Molecular FormulaC6H3BrF4N2O3S
Molecular Weight339.06 g/mol
Exact Mass337.90
IUPAC Name4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OC(F)(F)F)c(F)n1
InChIInChI=1S/C6H3BrF4N2O3S/c7-2-1-3(17(12,14)15)13-5(8)4(2)16-6(9,10)11/h1H,(H2,12,14,15)
InChIKeyHEXHYRJKEXJJPJ-UHFFFAOYSA-N
XLogP1.53
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669634
1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
CID 118813366
6-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide
CID 119013637
[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571679
1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
CID 118807728
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008
6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134676179
4-chloro-6-fluoro-5-(trifluoromethoxy)pyridin-2-amine
CID 131190696
[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825745
4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118822750
3,5-dibromo-2-(trifluoromethoxy)benzoic acid
CID 154611943
2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
CID 118820838

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide?
The IUPAC name of 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide (CID 118838899) is 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide is NS(=O)(=O)c1cc(Br)c(OC(F)(F)F)c(F)n1.
What is the InChIKey of 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide?
The InChIKey is HEXHYRJKEXJJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF4N2O3S/c7-2-1-3(17(12,14)15)13-5(8)4(2)16-6(9,10)11/h1H,(H2,12,14,15).
What are the key properties of 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide?
4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide has a molecular weight of 339.06 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 118838899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).