2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole

C21H18N2O2S — CID 2952925

IUPAC2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-26(25,19-14-8-3-9-15-19)23-21(18-12-6-2-7-13-18)16-20(22-23)17-10-4-1-5-11-17/h1-15,21H,16H2
InChIKeyLVKSEIDGIPEKPU-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.23
Rot. Bonds4

About 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole

2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole (PubChem CID 2952925) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole
PubChem CID2952925
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-26(25,19-14-8-3-9-15-19)23-21(18-12-6-2-7-13-18)16-20(22-23)17-10-4-1-5-11-17/h1-15,21H,16H2
InChIKeyLVKSEIDGIPEKPU-UHFFFAOYSA-N
XLogP4.23
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole (CID 2952925) is 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole is O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is LVKSEIDGIPEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-26(25,19-14-8-3-9-15-19)23-21(18-12-6-2-7-13-18)16-20(22-23)17-10-4-1-5-11-17/h1-15,21H,16H2.
What are the key properties of 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole?
2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 362.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2952925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).