4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C7HCl2F3N2O3S — CID 118850653

IUPAC4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESN#Cc1nc(S(=O)(=O)Cl)cc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7HCl2F3N2O3S/c8-3-1-5(18(9,15)16)14-4(2-13)6(3)17-7(10,11)12/h1H
InChIKeyZFNRZBHVCJMASX-UHFFFAOYSA-N
MW321.06 g/mol
LogP2.43
Rot. Bonds2

About 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride

4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 118850653) has the molecular formula C7HCl2F3N2O3S and a molecular weight of 321.06 g/mol. Its IUPAC name is 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID118850653
Molecular FormulaC7HCl2F3N2O3S
Molecular Weight321.06 g/mol
Exact Mass319.90
IUPAC Name4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESN#Cc1nc(S(=O)(=O)Cl)cc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7HCl2F3N2O3S/c8-3-1-5(18(9,15)16)14-4(2-13)6(3)17-7(10,11)12/h1H
InChIKeyZFNRZBHVCJMASX-UHFFFAOYSA-N
XLogP2.43
TPSA80.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 118850653) is 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride is N#Cc1nc(S(=O)(=O)Cl)cc(Cl)c1OC(F)(F)F.
What is the InChIKey of 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is ZFNRZBHVCJMASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2F3N2O3S/c8-3-1-5(18(9,15)16)14-4(2-13)6(3)17-7(10,11)12/h1H.
What are the key properties of 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 321.06 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 118850653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).