4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole

C9H5ClF2N2O2S — CID 22200772

IUPAC4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1F)n1cc(Cl)cn1
InChIInChI=1S/C9H5ClF2N2O2S/c10-6-4-13-14(5-6)17(15,16)9-2-1-7(11)3-8(9)12/h1-5H
InChIKeyKOYFKWNMCFNJLN-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.05
Rot. Bonds2

About 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole

4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole (PubChem CID 22200772) has the molecular formula C9H5ClF2N2O2S and a molecular weight of 278.67 g/mol. Its IUPAC name is 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole
PubChem CID22200772
Molecular FormulaC9H5ClF2N2O2S
Molecular Weight278.67 g/mol
Exact Mass277.97
IUPAC Name4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1F)n1cc(Cl)cn1
InChIInChI=1S/C9H5ClF2N2O2S/c10-6-4-13-14(5-6)17(15,16)9-2-1-7(11)3-8(9)12/h1-5H
InChIKeyKOYFKWNMCFNJLN-UHFFFAOYSA-N
XLogP2.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole?
The IUPAC name of 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole (CID 22200772) is 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole.
What is the SMILES notation for 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole?
The canonical SMILES for 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole is O=S(=O)(c1ccc(F)cc1F)n1cc(Cl)cn1.
What is the InChIKey of 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole?
The InChIKey is KOYFKWNMCFNJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2S/c10-6-4-13-14(5-6)17(15,16)9-2-1-7(11)3-8(9)12/h1-5H.
What are the key properties of 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole?
4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole has a molecular weight of 278.67 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-difluorophenyl)sulfonylpyrazole is sourced from PubChem (CID 22200772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).