3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride

C6H2Cl2F3NO2S — CID 130072163

IUPAC3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(C(F)F)c(F)c1Cl
InChIInChI=1S/C6H2Cl2F3NO2S/c7-3-4(9)2(5(10)11)1-12-6(3)15(8,13)14/h1,5H
InChIKeyMXFNQAPWJAIQAW-UHFFFAOYSA-N
MW280.05 g/mol
LogP2.74
Rot. Bonds2

About 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride

3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride (PubChem CID 130072163) has the molecular formula C6H2Cl2F3NO2S and a molecular weight of 280.05 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
PubChem CID130072163
Molecular FormulaC6H2Cl2F3NO2S
Molecular Weight280.05 g/mol
Exact Mass278.91
IUPAC Name3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(C(F)F)c(F)c1Cl
InChIInChI=1S/C6H2Cl2F3NO2S/c7-3-4(9)2(5(10)11)1-12-6(3)15(8,13)14/h1,5H
InChIKeyMXFNQAPWJAIQAW-UHFFFAOYSA-N
XLogP2.74
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647
3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130095750
5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130072158
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130096937
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566
4-chloro-5-(difluoromethyl)-3-methylpyridine-2-sulfonamide
CID 118822440
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
CID 130073994

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride?
The IUPAC name of 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride (CID 130072163) is 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride?
The canonical SMILES for 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1ncc(C(F)F)c(F)c1Cl.
What is the InChIKey of 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride?
The InChIKey is MXFNQAPWJAIQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F3NO2S/c7-3-4(9)2(5(10)11)1-12-6(3)15(8,13)14/h1,5H.
What are the key properties of 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride?
3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride has a molecular weight of 280.05 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 130072163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).