5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide

C6H5BrF2N2O3S — CID 130110666

IUPAC5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1[nH]c(=O)c(Br)cc1C(F)F
InChIInChI=1S/C6H5BrF2N2O3S/c7-3-1-2(4(8)9)6(11-5(3)12)15(10,13)14/h1,4H,(H,11,12)(H2,10,13,14)
InChIKeyZTTGDLKLPROQGR-UHFFFAOYSA-N
MW303.08 g/mol
LogP0.72
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide

5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide (PubChem CID 130110666) has the molecular formula C6H5BrF2N2O3S and a molecular weight of 303.08 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
PubChem CID130110666
Molecular FormulaC6H5BrF2N2O3S
Molecular Weight303.08 g/mol
Exact Mass301.92
IUPAC Name5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1[nH]c(=O)c(Br)cc1C(F)F
InChIInChI=1S/C6H5BrF2N2O3S/c7-3-1-2(4(8)9)6(11-5(3)12)15(10,13)14/h1,4H,(H,11,12)(H2,10,13,14)
InChIKeyZTTGDLKLPROQGR-UHFFFAOYSA-N
XLogP0.72
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide
CID 133102990
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130109294
3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130110303
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
CID 118818505
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide
CID 130072899
2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130110337
5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101701
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 118998534
5-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 130084137
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130110439
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 119013283
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide?
The IUPAC name of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide (CID 130110666) is 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide is NS(=O)(=O)c1[nH]c(=O)c(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide?
The InChIKey is ZTTGDLKLPROQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O3S/c7-3-1-2(4(8)9)6(11-5(3)12)15(10,13)14/h1,4H,(H,11,12)(H2,10,13,14).
What are the key properties of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide?
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide has a molecular weight of 303.08 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide is sourced from PubChem (CID 130110666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).