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

C6H2Cl2F3NO3S — CID 118817072

IUPAC4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)ccnc1OC(F)(F)F
InChIInChI=1S/C6H2Cl2F3NO3S/c7-3-1-2-12-5(15-6(9,10)11)4(3)16(8,13)14/h1-2H
InChIKeyQISUSJRDTAYPLX-UHFFFAOYSA-N
MW296.05 g/mol
LogP2.56
Rot. Bonds2

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

4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 118817072) has the molecular formula C6H2Cl2F3NO3S and a molecular weight of 296.05 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID118817072
Molecular FormulaC6H2Cl2F3NO3S
Molecular Weight296.05 g/mol
Exact Mass294.91
IUPAC Name4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)ccnc1OC(F)(F)F
InChIInChI=1S/C6H2Cl2F3NO3S/c7-3-1-2-12-5(15-6(9,10)11)4(3)16(8,13)14/h1-2H
InChIKeyQISUSJRDTAYPLX-UHFFFAOYSA-N
XLogP2.56
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 118817072) is 4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1c(Cl)ccnc1OC(F)(F)F.
What is the InChIKey of 4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is QISUSJRDTAYPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F3NO3S/c7-3-1-2-12-5(15-6(9,10)11)4(3)16(8,13)14/h1-2H.
What are the key properties of 4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 296.05 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118817072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).