1-(benzenesulfonyl)-5-benzhydrylpyrazole

C22H18N2O2S — CID 2806042

IUPAC1-(benzenesulfonyl)-5-benzhydrylpyrazole
SMILESO=S(=O)(c1ccccc1)n1nccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O2S/c25-27(26,20-14-8-3-9-15-20)24-21(16-17-23-24)22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-17,22H
InChIKeyPRNNNOQFUYYMAG-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.30
Rot. Bonds5

About 1-(benzenesulfonyl)-5-benzhydrylpyrazole

1-(benzenesulfonyl)-5-benzhydrylpyrazole (PubChem CID 2806042) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-benzhydrylpyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-benzhydrylpyrazole
PubChem CID2806042
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name1-(benzenesulfonyl)-5-benzhydrylpyrazole
SMILESO=S(=O)(c1ccccc1)n1nccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O2S/c25-27(26,20-14-8-3-9-15-20)24-21(16-17-23-24)22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-17,22H
InChIKeyPRNNNOQFUYYMAG-UHFFFAOYSA-N
XLogP4.30
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-benzhydrylpyrazole?
The IUPAC name of 1-(benzenesulfonyl)-5-benzhydrylpyrazole (CID 2806042) is 1-(benzenesulfonyl)-5-benzhydrylpyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-benzhydrylpyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-5-benzhydrylpyrazole is O=S(=O)(c1ccccc1)n1nccc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-benzhydrylpyrazole?
The InChIKey is PRNNNOQFUYYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-27(26,20-14-8-3-9-15-20)24-21(16-17-23-24)22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-17,22H.
What are the key properties of 1-(benzenesulfonyl)-5-benzhydrylpyrazole?
1-(benzenesulfonyl)-5-benzhydrylpyrazole has a molecular weight of 374.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-benzhydrylpyrazole is sourced from PubChem (CID 2806042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).