2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine

C12H7ClF3NO2S — CID 699529

IUPAC2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H7ClF3NO2S/c13-9-2-4-10(5-3-9)20(18,19)11-6-1-8(7-17-11)12(14,15)16/h1-7H
InChIKeySOOFOTKMNBWXRV-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.59
Rot. Bonds2

About 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine

2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine (PubChem CID 699529) has the molecular formula C12H7ClF3NO2S and a molecular weight of 321.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine
PubChem CID699529
Molecular FormulaC12H7ClF3NO2S
Molecular Weight321.71 g/mol
Exact Mass320.98
IUPAC Name2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H7ClF3NO2S/c13-9-2-4-10(5-3-9)20(18,19)11-6-1-8(7-17-11)12(14,15)16/h1-7H
InChIKeySOOFOTKMNBWXRV-UHFFFAOYSA-N
XLogP3.59
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine (CID 699529) is 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine is O=S(=O)(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine?
The InChIKey is SOOFOTKMNBWXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2S/c13-9-2-4-10(5-3-9)20(18,19)11-6-1-8(7-17-11)12(14,15)16/h1-7H.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine?
2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine has a molecular weight of 321.71 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 699529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).