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

C6H3Cl2F2NO2S — CID 130095750

IUPAC3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nccc(C(F)F)c1Cl
InChIInChI=1S/C6H3Cl2F2NO2S/c7-4-3(5(9)10)1-2-11-6(4)14(8,12)13/h1-2,5H
InChIKeyRUQZSKJUXFEERX-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.60
Rot. Bonds2

About 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride

3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 130095750) has the molecular formula C6H3Cl2F2NO2S and a molecular weight of 262.06 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID130095750
Molecular FormulaC6H3Cl2F2NO2S
Molecular Weight262.06 g/mol
Exact Mass260.92
IUPAC Name3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nccc(C(F)F)c1Cl
InChIInChI=1S/C6H3Cl2F2NO2S/c7-4-3(5(9)10)1-2-11-6(4)14(8,12)13/h1-2,5H
InChIKeyRUQZSKJUXFEERX-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

3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130072163
4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118829538
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine
CID 130095551
3-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 130097988
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
3-fluoro-4-methoxypyridine-2-sulfonyl chloride
CID 130785648
3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130096937
6-amino-5-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103054

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride (CID 130095750) is 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1nccc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is RUQZSKJUXFEERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F2NO2S/c7-4-3(5(9)10)1-2-11-6(4)14(8,12)13/h1-2,5H.
What are the key properties of 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride?
3-chloro-4-(difluoromethyl)pyridine-2-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 3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 130095750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).