4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride

C7H2Cl2F2N2O2S — CID 118799899

IUPAC4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESN#Cc1ncc(S(=O)(=O)Cl)c(Cl)c1C(F)F
InChIInChI=1S/C7H2Cl2F2N2O2S/c8-6-4(16(9,14)15)2-13-3(1-12)5(6)7(10)11/h2,7H
InChIKeyLVCDSLPOPCQCBS-UHFFFAOYSA-N
MW287.07 g/mol
LogP2.47
Rot. Bonds2

About 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride

4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 118799899) has the molecular formula C7H2Cl2F2N2O2S and a molecular weight of 287.07 g/mol. Its IUPAC name is 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID118799899
Molecular FormulaC7H2Cl2F2N2O2S
Molecular Weight287.07 g/mol
Exact Mass285.92
IUPAC Name4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESN#Cc1ncc(S(=O)(=O)Cl)c(Cl)c1C(F)F
InChIInChI=1S/C7H2Cl2F2N2O2S/c8-6-4(16(9,14)15)2-13-3(1-12)5(6)7(10)11/h2,7H
InChIKeyLVCDSLPOPCQCBS-UHFFFAOYSA-N
XLogP2.47
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-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-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130074571
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336
4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446510
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103695
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
CID 130077762
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071100
5-chloro-4-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446496
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130071437
5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130076358

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride (CID 118799899) is 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride is N#Cc1ncc(S(=O)(=O)Cl)c(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is LVCDSLPOPCQCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2N2O2S/c8-6-4(16(9,14)15)2-13-3(1-12)5(6)7(10)11/h2,7H.
What are the key properties of 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 287.07 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118799899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).