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

C16H14N2O2S — CID 11254999

IUPAC1-(4-methylphenyl)sulfonyl-4-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C16H14N2O2S/c1-13-7-9-16(10-8-13)21(19,20)18-12-15(11-17-18)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyWIOCWLBDTJASKN-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.10
Rot. Bonds3

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

1-(4-methylphenyl)sulfonyl-4-phenylpyrazole (PubChem CID 11254999) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-phenylpyrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-phenylpyrazole
PubChem CID11254999
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name1-(4-methylphenyl)sulfonyl-4-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C16H14N2O2S/c1-13-7-9-16(10-8-13)21(19,20)18-12-15(11-17-18)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyWIOCWLBDTJASKN-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenylpyrazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenylpyrazole (CID 11254999) is 1-(4-methylphenyl)sulfonyl-4-phenylpyrazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-phenylpyrazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-phenylpyrazole is Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)cn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-phenylpyrazole?
The InChIKey is WIOCWLBDTJASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-13-7-9-16(10-8-13)21(19,20)18-12-15(11-17-18)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-phenylpyrazole?
1-(4-methylphenyl)sulfonyl-4-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-4-phenylpyrazole is sourced from PubChem (CID 11254999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).