1-(benzenesulfonyl)-3-phenylpyrazole

C15H12N2O2S — CID 12551968

IUPAC1-(benzenesulfonyl)-3-phenylpyrazole
SMILESO=S(=O)(c1ccccc1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C15H12N2O2S/c18-20(19,14-9-5-2-6-10-14)17-12-11-15(16-17)13-7-3-1-4-8-13/h1-12H
InChIKeyKTCXEPVGOVQWTF-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.79
Rot. Bonds3

About 1-(benzenesulfonyl)-3-phenylpyrazole

1-(benzenesulfonyl)-3-phenylpyrazole (PubChem CID 12551968) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-phenylpyrazole
PubChem CID12551968
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name1-(benzenesulfonyl)-3-phenylpyrazole
SMILESO=S(=O)(c1ccccc1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C15H12N2O2S/c18-20(19,14-9-5-2-6-10-14)17-12-11-15(16-17)13-7-3-1-4-8-13/h1-12H
InChIKeyKTCXEPVGOVQWTF-UHFFFAOYSA-N
XLogP2.79
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1-(toluene-4-sulfonyl)-1H-pyrazole
CID 261702
3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 700199
4-[2-(4-Fluoro-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395070
4-(4-Fluoro-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 10734248
1-(4-Methylbenzene-1-sulfonyl)-1H-indazole
CID 13170680
1-Tosylpyrozole
CID 320750
N-[2-[1-(benzenesulfonyl)pyrazol-3-yl]-3-methylphenyl]benzenesulfonamide
CID 145976026
N-[2-[1-(benzenesulfonyl)pyrazol-3-yl]-6-methylphenyl]benzenesulfonamide
CID 155558239
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055
4-(4-Methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 10519259
4-[5-(4-Fluoro-phenyl)-pyrazol-1-yl]-benzenesulfonamide
CID 10852952

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-phenylpyrazole?
The IUPAC name of 1-(benzenesulfonyl)-3-phenylpyrazole (CID 12551968) is 1-(benzenesulfonyl)-3-phenylpyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-phenylpyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-3-phenylpyrazole is O=S(=O)(c1ccccc1)n1ccc(-c2ccccc2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-3-phenylpyrazole?
The InChIKey is KTCXEPVGOVQWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-20(19,14-9-5-2-6-10-14)17-12-11-15(16-17)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 1-(benzenesulfonyl)-3-phenylpyrazole?
1-(benzenesulfonyl)-3-phenylpyrazole has a molecular weight of 284.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-phenylpyrazole is sourced from PubChem (CID 12551968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).