1-(4-methylphenyl)sulfonyl-3-phenylindazole

C20H16N2O2S — CID 12997062

IUPAC1-(4-methylphenyl)sulfonyl-3-phenylindazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O2S/c1-15-11-13-17(14-12-15)25(23,24)22-19-10-6-5-9-18(19)20(21-22)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyYJIHNCFUDYGBJE-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.25
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-phenylindazole

1-(4-methylphenyl)sulfonyl-3-phenylindazole (PubChem CID 12997062) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-phenylindazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-phenylindazole
PubChem CID12997062
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name1-(4-methylphenyl)sulfonyl-3-phenylindazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O2S/c1-15-11-13-17(14-12-15)25(23,24)22-19-10-6-5-9-18(19)20(21-22)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyYJIHNCFUDYGBJE-UHFFFAOYSA-N
XLogP4.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)sulfonyl-3-phenylindazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-Fluoro-phenyl)-6-methanesulfonyl-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazine
CID 11155025
MEK4 inhibitor-1
CID 155424828
3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide
CID 164617830
3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
CID 164619084
N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164628813
6-Ethyl-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazine
CID 44395024
2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-6-methyl-pyrazolo[1,5-b]pyridazine
CID 44395063
4-[2-(4-Fluoro-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395070
3-(4-Methanesulfonyl-phenyl)-6-methyl-2-phenyl-pyrazolo[1,5-b]pyridazine
CID 44395167
1-phenyl-N-(3-styryl-1H-indazol-5-yl)methanesulfonamide
CID 46886393
3-[5-[(3-methylphenyl)methylsulfonylamino]-1H-indazol-3-yl]benzenesulfonamide
CID 118712915
3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide
CID 118712917

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylindazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylindazole (CID 12997062) is 1-(4-methylphenyl)sulfonyl-3-phenylindazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-phenylindazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-phenylindazole is Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-phenylindazole?
The InChIKey is YJIHNCFUDYGBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-15-11-13-17(14-12-15)25(23,24)22-19-10-6-5-9-18(19)20(21-22)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-phenylindazole?
1-(4-methylphenyl)sulfonyl-3-phenylindazole has a molecular weight of 348.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-phenylindazole is sourced from PubChem (CID 12997062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).