5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole

C9H6F2N2O2S — CID 174313545

IUPAC5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C9H6F2N2O2S/c10-6-1-2-8(7(11)5-6)16(14,15)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKeyZJINERKVFMEXNU-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.52
Rot. Bonds2

About 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole

5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole (PubChem CID 174313545) has the molecular formula C9H6F2N2O2S and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole
PubChem CID174313545
Molecular FormulaC9H6F2N2O2S
Molecular Weight244.22 g/mol
Exact Mass244.01
IUPAC Name5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C9H6F2N2O2S/c10-6-1-2-8(7(11)5-6)16(14,15)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKeyZJINERKVFMEXNU-UHFFFAOYSA-N
XLogP1.52
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole?
The IUPAC name of 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole (CID 174313545) is 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole?
The canonical SMILES for 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole is O=S(=O)(c1ccn[nH]1)c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole?
The InChIKey is ZJINERKVFMEXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2S/c10-6-1-2-8(7(11)5-6)16(14,15)9-3-4-12-13-9/h1-5H,(H,12,13).
What are the key properties of 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole?
5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole has a molecular weight of 244.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole is sourced from PubChem (CID 174313545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).