1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole

C15H11FN2O2S — CID 175222809

IUPAC1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1)n1nccc1-c1ccccc1
InChIInChI=1S/C15H11FN2O2S/c16-13-6-8-14(9-7-13)21(19,20)18-15(10-11-17-18)12-4-2-1-3-5-12/h1-11H
InChIKeyPJBKGXBQCPRLCD-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole

1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole (PubChem CID 175222809) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole
PubChem CID175222809
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1)n1nccc1-c1ccccc1
InChIInChI=1S/C15H11FN2O2S/c16-13-6-8-14(9-7-13)21(19,20)18-15(10-11-17-18)12-4-2-1-3-5-12/h1-11H
InChIKeyPJBKGXBQCPRLCD-UHFFFAOYSA-N
XLogP2.93
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole (CID 175222809) is 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole is O=S(=O)(c1ccc(F)cc1)n1nccc1-c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole?
The InChIKey is PJBKGXBQCPRLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-13-6-8-14(9-7-13)21(19,20)18-15(10-11-17-18)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole?
1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole has a molecular weight of 302.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-5-phenylpyrazole is sourced from PubChem (CID 175222809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).