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

C7H3ClF5NO2S — CID 118829538

IUPAC4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(C(F)F)ccnc1C(F)(F)F
InChIInChI=1S/C7H3ClF5NO2S/c8-17(15,16)4-3(6(9)10)1-2-14-5(4)7(11,12)13/h1-2,6H
InChIKeyVVMIPPKAPQAQOO-UHFFFAOYSA-N
MW295.62 g/mol
LogP2.97
Rot. Bonds2

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

4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 118829538) has the molecular formula C7H3ClF5NO2S and a molecular weight of 295.62 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID118829538
Molecular FormulaC7H3ClF5NO2S
Molecular Weight295.62 g/mol
Exact Mass294.95
IUPAC Name4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(C(F)F)ccnc1C(F)(F)F
InChIInChI=1S/C7H3ClF5NO2S/c8-17(15,16)4-3(6(9)10)1-2-14-5(4)7(11,12)13/h1-2,6H
InChIKeyVVMIPPKAPQAQOO-UHFFFAOYSA-N
XLogP2.97
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.62
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084808
3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130095750
2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 23225574
2-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 118832290
3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130096577
6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118837901
ethyl 2-[4-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029498
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 118800549

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 118829538) is 4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1c(C(F)F)ccnc1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is VVMIPPKAPQAQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF5NO2S/c8-17(15,16)4-3(6(9)10)1-2-14-5(4)7(11,12)13/h1-2,6H.
What are the key properties of 4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 295.62 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118829538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).