5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride

C8H5ClF2N2O3S — CID 131454528

IUPAC5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
SMILESCOc1c(C#N)cnc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C8H5ClF2N2O3S/c1-16-6-4(2-12)3-13-8(17(9,14)15)5(6)7(10)11/h3,7H,1H3
InChIKeyKYKZLFMTBOHUIN-UHFFFAOYSA-N
MW282.66 g/mol
LogP1.83
Rot. Bonds3

About 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride

5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride (PubChem CID 131454528) has the molecular formula C8H5ClF2N2O3S and a molecular weight of 282.66 g/mol. Its IUPAC name is 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
PubChem CID131454528
Molecular FormulaC8H5ClF2N2O3S
Molecular Weight282.66 g/mol
Exact Mass281.97
IUPAC Name5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
SMILESCOc1c(C#N)cnc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C8H5ClF2N2O3S/c1-16-6-4(2-12)3-13-8(17(9,14)15)5(6)7(10)11/h3,7H,1H3
InChIKeyKYKZLFMTBOHUIN-UHFFFAOYSA-N
XLogP1.83
TPSA80.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-cyano-3-(difluoromethyl)-4-methoxypyridine-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

5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carbonitrile
CID 119008821
5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
CID 130077171
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566
2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130071437
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
CID 119012646
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
CID 133087554

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride?
The IUPAC name of 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride (CID 131454528) is 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride is COc1c(C#N)cnc(S(=O)(=O)Cl)c1C(F)F.
What is the InChIKey of 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride?
The InChIKey is KYKZLFMTBOHUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O3S/c1-16-6-4(2-12)3-13-8(17(9,14)15)5(6)7(10)11/h3,7H,1H3.
What are the key properties of 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride?
5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride has a molecular weight of 282.66 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 131454528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).