3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride

C6H3Cl2F2NO3S — CID 130072878

IUPAC3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
SMILESO=c1c(C(F)F)c[nH]c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C6H3Cl2F2NO3S/c7-3-4(12)2(5(9)10)1-11-6(3)15(8,13)14/h1,5H,(H,11,12)
InChIKeyDRXIUFRGNAATDB-UHFFFAOYSA-N
MW278.06 g/mol
LogP1.89
Rot. Bonds2

About 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride

3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride (PubChem CID 130072878) has the molecular formula C6H3Cl2F2NO3S and a molecular weight of 278.06 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
PubChem CID130072878
Molecular FormulaC6H3Cl2F2NO3S
Molecular Weight278.06 g/mol
Exact Mass276.92
IUPAC Name3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
SMILESO=c1c(C(F)F)c[nH]c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C6H3Cl2F2NO3S/c7-3-4(12)2(5(9)10)1-11-6(3)15(8,13)14/h1,5H,(H,11,12)
InChIKeyDRXIUFRGNAATDB-UHFFFAOYSA-N
XLogP1.89
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride
CID 118811667
3-chloro-4-(difluoromethyl)-1H-pyridin-2-one
CID 130095415
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079469
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130072851
3-chloro-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130072290
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118804024
3-amino-2-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-4-one
CID 130104725
5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carbonyl chloride
CID 130084068
5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 119023722
3-(chloromethyl)-5-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085159
2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 119000477

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride?
The IUPAC name of 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride (CID 130072878) is 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride?
The canonical SMILES for 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride is O=c1c(C(F)F)c[nH]c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride?
The InChIKey is DRXIUFRGNAATDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F2NO3S/c7-3-4(12)2(5(9)10)1-11-6(3)15(8,13)14/h1,5H,(H,11,12).
What are the key properties of 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride?
3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride has a molecular weight of 278.06 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride is sourced from PubChem (CID 130072878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).