2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole

C24H24N2O4S — CID 4963246

IUPAC2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H24N2O4S/c1-17-9-11-18(12-10-17)21-16-22(19-13-14-23(29-2)24(15-19)30-3)26(25-21)31(27,28)20-7-5-4-6-8-20/h4-15,22H,16H2,1-3H3
InChIKeySQNRCCZRAYYJRF-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.55
Rot. Bonds6

About 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole

2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole (PubChem CID 4963246) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
PubChem CID4963246
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H24N2O4S/c1-17-9-11-18(12-10-17)21-16-22(19-13-14-23(29-2)24(15-19)30-3)26(25-21)31(27,28)20-7-5-4-6-8-20/h4-15,22H,16H2,1-3H3
InChIKeySQNRCCZRAYYJRF-UHFFFAOYSA-N
XLogP4.55
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole (CID 4963246) is 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole is COc1ccc(C2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
The InChIKey is SQNRCCZRAYYJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17-9-11-18(12-10-17)21-16-22(19-13-14-23(29-2)24(15-19)30-3)26(25-21)31(27,28)20-7-5-4-6-8-20/h4-15,22H,16H2,1-3H3.
What are the key properties of 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole has a molecular weight of 436.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 4963246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).