3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole

C21H18N2O3S — CID 135005555

IUPAC3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole
SMILESCOc1cccc(-c2nn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1
InChIInChI=1S/C21H18N2O3S/c1-15-10-12-18(13-11-15)27(24,25)23-20-9-4-3-8-19(20)21(22-23)16-6-5-7-17(14-16)26-2/h3-14H,1-2H3
InChIKeyOGLUVZCEEFUKPB-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.26
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole

3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole (PubChem CID 135005555) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole
PubChem CID135005555
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole
SMILESCOc1cccc(-c2nn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1
InChIInChI=1S/C21H18N2O3S/c1-15-10-12-18(13-11-15)27(24,25)23-20-9-4-3-8-19(20)21(22-23)16-6-5-7-17(14-16)26-2/h3-14H,1-2H3
InChIKeyOGLUVZCEEFUKPB-UHFFFAOYSA-N
XLogP4.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole 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-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole (CID 135005555) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole is COc1cccc(-c2nn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole?
The InChIKey is OGLUVZCEEFUKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-15-10-12-18(13-11-15)27(24,25)23-20-9-4-3-8-19(20)21(22-23)16-6-5-7-17(14-16)26-2/h3-14H,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole?
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole has a molecular weight of 378.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole is sourced from PubChem (CID 135005555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).