3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine

C15H8Cl2F3N3O2S — CID 71628234

IUPAC3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)n1nccc1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H8Cl2F3N3O2S/c16-10-1-3-11(4-2-10)26(24,25)23-13(5-6-22-23)14-12(17)7-9(8-21-14)15(18,19)20/h1-8H
InChIKeyUFZSCSMOFULEFQ-UHFFFAOYSA-N
MW422.22 g/mol
LogP4.51
Rot. Bonds3

About 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine

3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine (PubChem CID 71628234) has the molecular formula C15H8Cl2F3N3O2S and a molecular weight of 422.22 g/mol. Its IUPAC name is 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine
PubChem CID71628234
Molecular FormulaC15H8Cl2F3N3O2S
Molecular Weight422.22 g/mol
Exact Mass420.97
IUPAC Name3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)n1nccc1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H8Cl2F3N3O2S/c16-10-1-3-11(4-2-10)26(24,25)23-13(5-6-22-23)14-12(17)7-9(8-21-14)15(18,19)20/h1-8H
InChIKeyUFZSCSMOFULEFQ-UHFFFAOYSA-N
XLogP4.51
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.22
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine (CID 71628234) is 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine is O=S(=O)(c1ccc(Cl)cc1)n1nccc1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is UFZSCSMOFULEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3N3O2S/c16-10-1-3-11(4-2-10)26(24,25)23-13(5-6-22-23)14-12(17)7-9(8-21-14)15(18,19)20/h1-8H.
What are the key properties of 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 422.22 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71628234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).