1-(4-methylphenyl)sulfonyl-3-phenylpyrazole

C16H14N2O2S — CID 12588997

IUPAC1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2ccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-13-7-9-15(10-8-13)21(19,20)18-12-11-16(17-18)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyPDNFUBIFJVMADV-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.10
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole

1-(4-methylphenyl)sulfonyl-3-phenylpyrazole (PubChem CID 12588997) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
PubChem CID12588997
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2ccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-13-7-9-15(10-8-13)21(19,20)18-12-11-16(17-18)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyPDNFUBIFJVMADV-UHFFFAOYSA-N
XLogP3.10
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.10
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-Methanesulfonyl-phenyl)-2-phenyl-pyrazolo[1,5-b]pyridazine
CID 11725371
2-(3-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazine
CID 44395179
2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazine
CID 44395210
1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 700199
1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
4-[2-(4-Fluoro-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395070
3-(4-Methanesulfonyl-phenyl)-2-p-tolyl-pyrazolo[1,5-b]pyridazine
CID 44395098
1-(4-tert-butylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 891839
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole (CID 12588997) is 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole is Cc1ccc(S(=O)(=O)n2ccc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The InChIKey is PDNFUBIFJVMADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-13-7-9-15(10-8-13)21(19,20)18-12-11-16(17-18)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
1-(4-methylphenyl)sulfonyl-3-phenylpyrazole has a molecular weight of 298.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-phenylpyrazole is sourced from PubChem (CID 12588997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).