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

C6H3Cl2F2NO2S — CID 130095758

IUPAC5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)ncc1Cl
InChIInChI=1S/C6H3Cl2F2NO2S/c7-3-2-11-4(6(9)10)1-5(3)14(8,12)13/h1-2,6H
InChIKeyCXPYIFXZXKURIM-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.60
Rot. Bonds2

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

5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride (PubChem CID 130095758) has the molecular formula C6H3Cl2F2NO2S and a molecular weight of 262.06 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride
PubChem CID130095758
Molecular FormulaC6H3Cl2F2NO2S
Molecular Weight262.06 g/mol
Exact Mass260.92
IUPAC Name5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)ncc1Cl
InChIInChI=1S/C6H3Cl2F2NO2S/c7-3-2-11-4(6(9)10)1-5(3)14(8,12)13/h1-2,6H
InChIKeyCXPYIFXZXKURIM-UHFFFAOYSA-N
XLogP2.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(difluoromethyl)pyridine-4-sulfonamide
CID 130095776
2-(difluoromethyl)-5-hydroxypyridine-4-sulfonyl chloride
CID 118804023
5-amino-2-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094958
4-chloro-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130095772
3-chloro-6-(difluoromethyl)-2-methylpyridine-4-sulfonyl chloride
CID 130074580
5-chloro-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130095757
5-bromo-2-(difluoromethyl)pyridine-4-sulfonamide
CID 130095357
2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130095692
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
2-amino-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094943
2-chloro-4-(difluoromethyl)-5-nitrobenzenesulfonyl chloride
CID 172969027
5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130072158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride?
The IUPAC name of 5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride (CID 130095758) is 5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)F)ncc1Cl.
What is the InChIKey of 5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride?
The InChIKey is CXPYIFXZXKURIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F2NO2S/c7-3-2-11-4(6(9)10)1-5(3)14(8,12)13/h1-2,6H.
What are the key properties of 5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride?
5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride has a molecular weight of 262.06 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride is sourced from PubChem (CID 130095758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).