5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride

C7H2Cl2F2N2O2S — CID 130071456

IUPAC5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESN#Cc1cc(S(=O)(=O)Cl)nc(C(F)F)c1Cl
InChIInChI=1S/C7H2Cl2F2N2O2S/c8-5-3(2-12)1-4(16(9,14)15)13-6(5)7(10)11/h1,7H
InChIKeyQLBXJVHWIDQEHO-UHFFFAOYSA-N
MW287.07 g/mol
LogP2.47
Rot. Bonds2

About 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride

5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 130071456) has the molecular formula C7H2Cl2F2N2O2S and a molecular weight of 287.07 g/mol. Its IUPAC name is 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID130071456
Molecular FormulaC7H2Cl2F2N2O2S
Molecular Weight287.07 g/mol
Exact Mass285.92
IUPAC Name5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESN#Cc1cc(S(=O)(=O)Cl)nc(C(F)F)c1Cl
InChIInChI=1S/C7H2Cl2F2N2O2S/c8-5-3(2-12)1-4(16(9,14)15)13-6(5)7(10)11/h1,7H
InChIKeyQLBXJVHWIDQEHO-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

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Related Compounds

4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130099502
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446499
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976
6-(difluoromethyl)-4,5-difluoropyridine-2-sulfonyl chloride
CID 130099948
6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
CID 118815349
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130109159
4-chloro-5-cyano-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118805463
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130077780
3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103729
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130071480
5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 131459192

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride (CID 130071456) is 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride is N#Cc1cc(S(=O)(=O)Cl)nc(C(F)F)c1Cl.
What is the InChIKey of 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is QLBXJVHWIDQEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2N2O2S/c8-5-3(2-12)1-4(16(9,14)15)13-6(5)7(10)11/h1,7H.
What are the key properties of 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-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 5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 130071456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).