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

C6H2Cl2F3NO2S — CID 130072158

IUPAC5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(Cl)c(C(F)F)c1F
InChIInChI=1S/C6H2Cl2F3NO2S/c7-2-1-12-6(15(8,13)14)4(9)3(2)5(10)11/h1,5H
InChIKeyBEZQQWHKFDKJRD-UHFFFAOYSA-N
MW280.05 g/mol
LogP2.74
Rot. Bonds2

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

5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride (PubChem CID 130072158) has the molecular formula C6H2Cl2F3NO2S and a molecular weight of 280.05 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
PubChem CID130072158
Molecular FormulaC6H2Cl2F3NO2S
Molecular Weight280.05 g/mol
Exact Mass278.91
IUPAC Name5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(Cl)c(C(F)F)c1F
InChIInChI=1S/C6H2Cl2F3NO2S/c7-2-1-12-6(15(8,13)14)4(9)3(2)5(10)11/h1,5H
InChIKeyBEZQQWHKFDKJRD-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

5-chloro-3-(difluoromethyl)-4-fluoropyridine-2-sulfonamide
CID 134674493
3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130072163
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 118822917
4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
CID 118852049
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734
5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide
CID 134685598
3,5-difluoro-4-methylpyridine-2-sulfonyl chloride
CID 146421692
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-sulfonamide
CID 130109962
4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride?
The IUPAC name of 5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride (CID 130072158) is 5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1ncc(Cl)c(C(F)F)c1F.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride?
The InChIKey is BEZQQWHKFDKJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F3NO2S/c7-2-1-12-6(15(8,13)14)4(9)3(2)5(10)11/h1,5H.
What are the key properties of 5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride?
5-chloro-4-(difluoromethyl)-3-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 5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 130072158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).