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

C7H7BrF2N2O2S — CID 130069630

IUPAC6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
SMILESCc1cc(Br)nc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O2S/c1-3-2-4(8)12-7(15(11,13)14)5(3)6(9)10/h2,6H,1H3,(H2,11,13,14)
InChIKeyOKOIPFYQBKJLAE-UHFFFAOYSA-N
MW301.11 g/mol
LogP1.74
Rot. Bonds2

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

6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide (PubChem CID 130069630) has the molecular formula C7H7BrF2N2O2S and a molecular weight of 301.11 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
PubChem CID130069630
Molecular FormulaC7H7BrF2N2O2S
Molecular Weight301.11 g/mol
Exact Mass299.94
IUPAC Name6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
SMILESCc1cc(Br)nc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O2S/c1-3-2-4(8)12-7(15(11,13)14)5(3)6(9)10/h2,6H,1H3,(H2,11,13,14)
InChIKeyOKOIPFYQBKJLAE-UHFFFAOYSA-N
XLogP1.74
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.11
LogP ≤ 51.74
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

6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonyl chloride
CID 130069589
3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
CID 133098938
6-amino-4-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130102335
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
3-(difluoromethyl)-4-fluoro-6-methoxypyridine-2-sulfonamide
CID 133105151
4-bromo-6-cyano-3-(difluoromethyl)pyridine-2-sulfonamide
CID 118822647
6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
CID 130069265
6-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130095345
3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide
CID 130085864
2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
CID 119008964
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide?
The IUPAC name of 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide (CID 130069630) is 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide is Cc1cc(Br)nc(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide?
The InChIKey is OKOIPFYQBKJLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O2S/c1-3-2-4(8)12-7(15(11,13)14)5(3)6(9)10/h2,6H,1H3,(H2,11,13,14).
What are the key properties of 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide?
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide has a molecular weight of 301.11 g/mol, XLogP of 1.74, 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)-4-methylpyridine-2-sulfonamide is sourced from PubChem (CID 130069630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).