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

C6H3ClF3NO2S — CID 130096577

IUPAC3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)cncc1C(F)F
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3(6(9)10)1-11-2-4(5)8/h1-2,6H
InChIKeyGGGYJTIMUDLUMS-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.09
Rot. Bonds2

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

3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride (PubChem CID 130096577) has the molecular formula C6H3ClF3NO2S and a molecular weight of 245.61 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
PubChem CID130096577
Molecular FormulaC6H3ClF3NO2S
Molecular Weight245.61 g/mol
Exact Mass244.95
IUPAC Name3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)cncc1C(F)F
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3(6(9)10)1-11-2-4(5)8/h1-2,6H
InChIKeyGGGYJTIMUDLUMS-UHFFFAOYSA-N
XLogP2.09
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 130095389
3-fluoro-5-methoxypyridine-4-sulfonyl chloride
CID 55280692
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 134669144
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130096484
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336
4-(difluoromethyl)isoquinoline-5-sulfonyl chloride
CID 118487990
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664
4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118850596
2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride
CID 118837859
4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 118800549

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride?
The IUPAC name of 3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride (CID 130096577) is 3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride is O=S(=O)(Cl)c1c(F)cncc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride?
The InChIKey is GGGYJTIMUDLUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3(6(9)10)1-11-2-4(5)8/h1-2,6H.
What are the key properties of 3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride?
3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride has a molecular weight of 245.61 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride is sourced from PubChem (CID 130096577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).