1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole

C21H21NO2S — CID 134950379

IUPAC1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c2CCCC3)cc1
InChIInChI=1S/C21H21NO2S/c1-16-11-13-18(14-12-16)25(23,24)22-15-20(17-7-3-2-4-8-17)19-9-5-6-10-21(19)22/h2-4,7-8,11-15H,5-6,9-10H2,1H3
InChIKeyPGPUUKJWVAYTNU-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.58
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole

1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole (PubChem CID 134950379) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole
PubChem CID134950379
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c2CCCC3)cc1
InChIInChI=1S/C21H21NO2S/c1-16-11-13-18(14-12-16)25(23,24)22-15-20(17-7-3-2-4-8-17)19-9-5-6-10-21(19)22/h2-4,7-8,11-15H,5-6,9-10H2,1H3
InChIKeyPGPUUKJWVAYTNU-UHFFFAOYSA-N
XLogP4.58
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole 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

1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one
CID 132509620
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3,6,7,8,9-hexahydrobenzo[e]isoindole
CID 10811912
4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 146169459
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
5-bromo-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 141325151
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole
CID 102126932
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11382924
1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 935379
3-(4-methylphenyl)sulfonyl-6-phenyl-2,4-dihydro-1H-benzo[f]isoquinoline
CID 102289711
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
5-[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 175088289

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole (CID 134950379) is 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole is Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c2CCCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole?
The InChIKey is PGPUUKJWVAYTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-16-11-13-18(14-12-16)25(23,24)22-15-20(17-7-3-2-4-8-17)19-9-5-6-10-21(19)22/h2-4,7-8,11-15H,5-6,9-10H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole?
1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole has a molecular weight of 351.47 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 134950379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).