2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole

C22H20N2O3S — CID 3711599

IUPAC2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H20N2O3S/c1-27-19-14-12-17(13-15-19)21-16-22(18-8-4-2-5-9-18)24(23-21)28(25,26)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKeyJYTHTIFEOKAXGK-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.24
Rot. Bonds5

About 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole

2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole (PubChem CID 3711599) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole
PubChem CID3711599
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H20N2O3S/c1-27-19-14-12-17(13-15-19)21-16-22(18-8-4-2-5-9-18)24(23-21)28(25,26)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKeyJYTHTIFEOKAXGK-UHFFFAOYSA-N
XLogP4.24
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole (CID 3711599) is 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole is COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole?
The InChIKey is JYTHTIFEOKAXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-27-19-14-12-17(13-15-19)21-16-22(18-8-4-2-5-9-18)24(23-21)28(25,26)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole?
2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole has a molecular weight of 392.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 3711599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).