2-(trifluoromethyl)pyridine-3-sulfonyl chloride

C6H3ClF3NO2S — CID 23225574

IUPAC2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1C(F)(F)F
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-2-1-3-11-5(4)6(8,9)10/h1-3H
InChIKeyIRINAFUPYRWEKL-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.03
Rot. Bonds1

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

2-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 23225574) has the molecular formula C6H3ClF3NO2S and a molecular weight of 245.61 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID23225574
Molecular FormulaC6H3ClF3NO2S
Molecular Weight245.61 g/mol
Exact Mass244.95
IUPAC Name2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1C(F)(F)F
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-2-1-3-11-5(4)6(8,9)10/h1-3H
InChIKeyIRINAFUPYRWEKL-UHFFFAOYSA-N
XLogP2.03
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 23225574) is 2-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cccnc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is IRINAFUPYRWEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-2-1-3-11-5(4)6(8,9)10/h1-3H.
What are the key properties of 2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
2-(trifluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 245.61 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 23225574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).