4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride

C6H2Cl3F2NO2S — CID 130099502

IUPAC4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)c(C(F)F)n1
InChIInChI=1S/C6H2Cl3F2NO2S/c7-2-1-3(15(9,13)14)12-5(4(2)8)6(10)11/h1,6H
InChIKeyZBXOFLQSVCIGBI-UHFFFAOYSA-N
MW296.51 g/mol
LogP3.25
Rot. Bonds2

About 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride

4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 130099502) has the molecular formula C6H2Cl3F2NO2S and a molecular weight of 296.51 g/mol. Its IUPAC name is 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID130099502
Molecular FormulaC6H2Cl3F2NO2S
Molecular Weight296.51 g/mol
Exact Mass294.88
IUPAC Name4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)c(C(F)F)n1
InChIInChI=1S/C6H2Cl3F2NO2S/c7-2-1-3(15(9,13)14)12-5(4(2)8)6(10)11/h1,6H
InChIKeyZBXOFLQSVCIGBI-UHFFFAOYSA-N
XLogP3.25
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446499
6-(difluoromethyl)-4,5-difluoropyridine-2-sulfonyl chloride
CID 130099948
6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
CID 118815349
5-amino-4-bromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130102315
3,4-dichloro-2-(difluoromethyl)-6-fluoropyridine
CID 130099210
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084815
4-chloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118834021
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-sulfonamide
CID 130103115
4-chloro-5-cyano-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118805463
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
CID 118854766
6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride
CID 118809670

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride (CID 130099502) is 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(Cl)c(C(F)F)n1.
What is the InChIKey of 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is ZBXOFLQSVCIGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3F2NO2S/c7-2-1-3(15(9,13)14)12-5(4(2)8)6(10)11/h1,6H.
What are the key properties of 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride has a molecular weight of 296.51 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 130099502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).