6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide

C6H4BrF3N2O2S — CID 118995452

IUPAC6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc(Br)c(F)cc1C(F)F
InChIInChI=1S/C6H4BrF3N2O2S/c7-4-3(8)1-2(5(9)10)6(12-4)15(11,13)14/h1,5H,(H2,11,13,14)
InChIKeyQRHVREGCIHCJRP-UHFFFAOYSA-N
MW305.07 g/mol
LogP1.57
Rot. Bonds2

About 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide

6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide (PubChem CID 118995452) has the molecular formula C6H4BrF3N2O2S and a molecular weight of 305.07 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
PubChem CID118995452
Molecular FormulaC6H4BrF3N2O2S
Molecular Weight305.07 g/mol
Exact Mass303.91
IUPAC Name6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc(Br)c(F)cc1C(F)F
InChIInChI=1S/C6H4BrF3N2O2S/c7-4-3(8)1-2(5(9)10)6(12-4)15(11,13)14/h1,5H,(H2,11,13,14)
InChIKeyQRHVREGCIHCJRP-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

5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 130104457
6-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130095345
5-chloro-3-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 134669477
3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 134685094
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 130069062
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
6-amino-4-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130102335
3-chloro-6-(difluoromethyl)-4-fluoropyridine-2-sulfonamide
CID 134663670
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonamide
CID 130069038
4-amino-3-bromo-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118839782
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide?
The IUPAC name of 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide (CID 118995452) is 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide is NS(=O)(=O)c1nc(Br)c(F)cc1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide?
The InChIKey is QRHVREGCIHCJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2O2S/c7-4-3(8)1-2(5(9)10)6(12-4)15(11,13)14/h1,5H,(H2,11,13,14).
What are the key properties of 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide?
6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-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 6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 118995452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).