6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide

C6H5ClF2N2O3S — CID 130072899

IUPAC6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1c(C(F)F)cc(Cl)[nH]c1=O
InChIInChI=1S/C6H5ClF2N2O3S/c7-3-1-2(5(8)9)4(6(12)11-3)15(10,13)14/h1,5H,(H,11,12)(H2,10,13,14)
InChIKeyLVVGQRWQQBQYMO-UHFFFAOYSA-N
MW258.63 g/mol
LogP0.61
Rot. Bonds2

About 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide

6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide (PubChem CID 130072899) has the molecular formula C6H5ClF2N2O3S and a molecular weight of 258.63 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide
PubChem CID130072899
Molecular FormulaC6H5ClF2N2O3S
Molecular Weight258.63 g/mol
Exact Mass257.97
IUPAC Name6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1c(C(F)F)cc(Cl)[nH]c1=O
InChIInChI=1S/C6H5ClF2N2O3S/c7-3-1-2(5(8)9)4(6(12)11-3)15(10,13)14/h1,5H,(H,11,12)(H2,10,13,14)
InChIKeyLVVGQRWQQBQYMO-UHFFFAOYSA-N
XLogP0.61
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130072851
6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
CID 130099992
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 118998534
6-amino-2-chloro-4-(difluoromethyl)pyridine-3-sulfonamide
CID 130103106
4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118841024
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
CID 130110666
6-(difluoromethyl)-4-methyl-2-oxo-1H-pyridine-3-sulfonamide
CID 130084130
5-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 130084137
6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130077018
2-amino-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118993955
3-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 130072951
2-chloro-5-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 119007831

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide (CID 130072899) is 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide is NS(=O)(=O)c1c(C(F)F)cc(Cl)[nH]c1=O.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is LVVGQRWQQBQYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O3S/c7-3-1-2(5(8)9)4(6(12)11-3)15(10,13)14/h1,5H,(H,11,12)(H2,10,13,14).
What are the key properties of 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide?
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 258.63 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 130072899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).