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

C6H5ClF2N2O3S — CID 118998534

IUPAC2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)F)c(=O)[nH]c1Cl
InChIInChI=1S/C6H5ClF2N2O3S/c7-4-3(15(10,13)14)1-2(5(8)9)6(12)11-4/h1,5H,(H,11,12)(H2,10,13,14)
InChIKeyBCNDQMYQVUEQBH-UHFFFAOYSA-N
MW258.63 g/mol
LogP0.61
Rot. Bonds2

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

2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 118998534) has the molecular formula C6H5ClF2N2O3S and a molecular weight of 258.63 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID118998534
Molecular FormulaC6H5ClF2N2O3S
Molecular Weight258.63 g/mol
Exact Mass257.97
IUPAC Name2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)F)c(=O)[nH]c1Cl
InChIInChI=1S/C6H5ClF2N2O3S/c7-4-3(15(10,13)14)1-2(5(8)9)6(12)11-4/h1,5H,(H,11,12)(H2,10,13,14)
InChIKeyBCNDQMYQVUEQBH-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

5-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 130084137
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide
CID 130072899
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide
CID 130086457
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
CID 130110666
3-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 130072951
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
CID 118818505
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide
CID 130073590
3-(difluoromethyl)-6-iodo-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130082727
6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 118996890
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130072851
5-chloro-2-(difluoromethyl)pyridine-4-sulfonamide
CID 130095776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 118998534) is 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide is NS(=O)(=O)c1cc(C(F)F)c(=O)[nH]c1Cl.
What is the InChIKey of 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is BCNDQMYQVUEQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O3S/c7-4-3(15(10,13)14)1-2(5(8)9)6(12)11-4/h1,5H,(H,11,12)(H2,10,13,14).
What are the key properties of 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide?
2-chloro-5-(difluoromethyl)-6-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 2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 118998534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).