5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole

C15H12N2O2S — CID 2806203

IUPAC5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H12N2O2S/c18-20(19,13-4-2-1-3-5-13)14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17)
InChIKeyXPGMZNVJAVQMEM-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.91
Rot. Bonds3

About 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole

5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole (PubChem CID 2806203) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole
PubChem CID2806203
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H12N2O2S/c18-20(19,13-4-2-1-3-5-13)14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17)
InChIKeyXPGMZNVJAVQMEM-UHFFFAOYSA-N
XLogP2.91
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole (CID 2806203) is 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole is O=S(=O)(c1ccccc1)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole?
The InChIKey is XPGMZNVJAVQMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-20(19,13-4-2-1-3-5-13)14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17).
What are the key properties of 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole?
5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole has a molecular weight of 284.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 2806203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).