3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole

C21H20N2O2S — CID 172640486

IUPAC3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole
SMILESCc1ccc(S(=O)(=O)n2nc3c(c2-c2cccc(C)c2)C=CCC3)cc1
InChIInChI=1S/C21H20N2O2S/c1-15-10-12-18(13-11-15)26(24,25)23-21(17-7-5-6-16(2)14-17)19-8-3-4-9-20(19)22-23/h3,5-8,10-14H,4,9H2,1-2H3
InChIKeyMNWWRJFXQYHXOL-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.36
Rot. Bonds3

About 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole

3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole (PubChem CID 172640486) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole
PubChem CID172640486
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole
SMILESCc1ccc(S(=O)(=O)n2nc3c(c2-c2cccc(C)c2)C=CCC3)cc1
InChIInChI=1S/C21H20N2O2S/c1-15-10-12-18(13-11-15)26(24,25)23-21(17-7-5-6-16(2)14-17)19-8-3-4-9-20(19)22-23/h3,5-8,10-14H,4,9H2,1-2H3
InChIKeyMNWWRJFXQYHXOL-UHFFFAOYSA-N
XLogP4.36
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole?
The IUPAC name of 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole (CID 172640486) is 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole.
What is the SMILES notation for 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole?
The canonical SMILES for 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole is Cc1ccc(S(=O)(=O)n2nc3c(c2-c2cccc(C)c2)C=CCC3)cc1.
What is the InChIKey of 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole?
The InChIKey is MNWWRJFXQYHXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15-10-12-18(13-11-15)26(24,25)23-21(17-7-5-6-16(2)14-17)19-8-3-4-9-20(19)22-23/h3,5-8,10-14H,4,9H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole?
3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole has a molecular weight of 364.47 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-6,7-dihydroindazole is sourced from PubChem (CID 172640486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).