6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole

C22H19NO2S — CID 138983532

IUPAC6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
SMILESCc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccc(C)cc32)cc1
InChIInChI=1S/C22H19NO2S/c1-16-9-12-20(13-10-16)26(24,25)23-21-14-17(2)8-11-19(21)15-22(23)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyHNRCQPUTZJXHCY-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.16
Rot. Bonds3

About 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole

6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole (PubChem CID 138983532) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
PubChem CID138983532
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
SMILESCc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccc(C)cc32)cc1
InChIInChI=1S/C22H19NO2S/c1-16-9-12-20(13-10-16)26(24,25)23-21-14-17(2)8-11-19(21)15-22(23)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyHNRCQPUTZJXHCY-UHFFFAOYSA-N
XLogP5.16
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
2-[5-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindol-4-yl]cyclopentan-1-one
CID 102141822
5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde
CID 54751837
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole
CID 70688086
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole?
The IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole (CID 138983532) is 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole is Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccc(C)cc32)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole?
The InChIKey is HNRCQPUTZJXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-16-9-12-20(13-10-16)26(24,25)23-21-14-17(2)8-11-19(21)15-22(23)18-6-4-3-5-7-18/h3-15H,1-2H3.
What are the key properties of 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole?
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole has a molecular weight of 361.47 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole is sourced from PubChem (CID 138983532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).