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

C22H19ClN2O3S — CID 86807968

IUPAC2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2ccccc2Cl)=NN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19ClN2O3S/c1-28-22-14-8-6-12-18(22)21-15-20(17-11-5-7-13-19(17)23)24-25(21)29(26,27)16-9-3-2-4-10-16/h2-14,21H,15H2,1H3
InChIKeyUAIZJYHBUTWXSJ-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.89
Rot. Bonds5

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

2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 86807968) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID86807968
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2ccccc2Cl)=NN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19ClN2O3S/c1-28-22-14-8-6-12-18(22)21-15-20(17-11-5-7-13-19(17)23)24-25(21)29(26,27)16-9-3-2-4-10-16/h2-14,21H,15H2,1H3
InChIKeyUAIZJYHBUTWXSJ-UHFFFAOYSA-N
XLogP4.89
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole (CID 86807968) is 2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole is COc1ccccc1C1CC(c2ccccc2Cl)=NN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is UAIZJYHBUTWXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-28-22-14-8-6-12-18(22)21-15-20(17-11-5-7-13-19(17)23)24-25(21)29(26,27)16-9-3-2-4-10-16/h2-14,21H,15H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole?
2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 426.93 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 86807968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).