2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole

C24H23ClN2O5S — CID 23800160

IUPAC2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)C(c3ccccc3OC)C2)cc1OC
InChIInChI=1S/C24H23ClN2O5S/c1-30-22-7-5-4-6-19(22)21-15-20(16-8-13-23(31-2)24(14-16)32-3)26-27(21)33(28,29)18-11-9-17(25)10-12-18/h4-14,21H,15H2,1-3H3
InChIKeyMJMZBRXCLBFRBU-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.91
Rot. Bonds7

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

2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 23800160) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID23800160
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Name2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)C(c3ccccc3OC)C2)cc1OC
InChIInChI=1S/C24H23ClN2O5S/c1-30-22-7-5-4-6-19(22)21-15-20(16-8-13-23(31-2)24(14-16)32-3)26-27(21)33(28,29)18-11-9-17(25)10-12-18/h4-14,21H,15H2,1-3H3
InChIKeyMJMZBRXCLBFRBU-UHFFFAOYSA-N
XLogP4.91
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole (CID 23800160) is 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole is COc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)C(c3ccccc3OC)C2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is MJMZBRXCLBFRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-30-22-7-5-4-6-19(22)21-15-20(16-8-13-23(31-2)24(14-16)32-3)26-27(21)33(28,29)18-11-9-17(25)10-12-18/h4-14,21H,15H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole?
2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 486.98 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 23800160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).