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

C6H4BrF2N3O4S — CID 134684319

IUPAC3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc([N+](=O)[O-])c(C(F)F)cc1Br
InChIInChI=1S/C6H4BrF2N3O4S/c7-3-1-2(4(8)9)5(12(13)14)11-6(3)17(10,15)16/h1,4H,(H2,10,15,16)
InChIKeyJOFNZSNSHXZENL-UHFFFAOYSA-N
MW332.08 g/mol
LogP1.34
Rot. Bonds3

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

3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide (PubChem CID 134684319) has the molecular formula C6H4BrF2N3O4S and a molecular weight of 332.08 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
PubChem CID134684319
Molecular FormulaC6H4BrF2N3O4S
Molecular Weight332.08 g/mol
Exact Mass330.91
IUPAC Name3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc([N+](=O)[O-])c(C(F)F)cc1Br
InChIInChI=1S/C6H4BrF2N3O4S/c7-3-1-2(4(8)9)5(12(13)14)11-6(3)17(10,15)16/h1,4H,(H2,10,15,16)
InChIKeyJOFNZSNSHXZENL-UHFFFAOYSA-N
XLogP1.34
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118834583
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 130069062
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide
CID 118807407
6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
CID 118995452
5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
CID 130084419
6-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130095345

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The IUPAC name of 3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide (CID 134684319) is 3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide is NS(=O)(=O)c1nc([N+](=O)[O-])c(C(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The InChIKey is JOFNZSNSHXZENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O4S/c7-3-1-2(4(8)9)5(12(13)14)11-6(3)17(10,15)16/h1,4H,(H2,10,15,16).
What are the key properties of 3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide has a molecular weight of 332.08 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide is sourced from PubChem (CID 134684319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).