2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide

C6H4BrF3N2O2S — CID 118996815

IUPAC2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
SMILESNS(=O)(=O)c1cc(F)nc(Br)c1C(F)F
InChIInChI=1S/C6H4BrF3N2O2S/c7-5-4(6(9)10)2(15(11,13)14)1-3(8)12-5/h1,6H,(H2,11,13,14)
InChIKeyXIIIHKBUWHLCLV-UHFFFAOYSA-N
MW305.07 g/mol
LogP1.57
Rot. Bonds2

About 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide

2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide (PubChem CID 118996815) has the molecular formula C6H4BrF3N2O2S and a molecular weight of 305.07 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
PubChem CID118996815
Molecular FormulaC6H4BrF3N2O2S
Molecular Weight305.07 g/mol
Exact Mass303.91
IUPAC Name2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
SMILESNS(=O)(=O)c1cc(F)nc(Br)c1C(F)F
InChIInChI=1S/C6H4BrF3N2O2S/c7-5-4(6(9)10)2(15(11,13)14)1-3(8)12-5/h1,6H,(H2,11,13,14)
InChIKeyXIIIHKBUWHLCLV-UHFFFAOYSA-N
XLogP1.57
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.07
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
CID 119008964
2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118993918
2,4-dibromo-3-(difluoromethyl)-6-fluoropyridine
CID 118998950
6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
CID 130104441
2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide
CID 119003766
3-(difluoromethyl)-2,6-diiodopyridine-4-sulfonamide
CID 134671949
5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130102347
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118817717
6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
CID 118995452
6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119001281
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130069630

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide?
The IUPAC name of 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide (CID 118996815) is 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide is NS(=O)(=O)c1cc(F)nc(Br)c1C(F)F.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide?
The InChIKey is XIIIHKBUWHLCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2O2S/c7-5-4(6(9)10)2(15(11,13)14)1-3(8)12-5/h1,6H,(H2,11,13,14).
What are the key properties of 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide?
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide has a molecular weight of 305.07 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide is sourced from PubChem (CID 118996815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).