1-(benzenesulfonyl)-2-(2-methylphenyl)indole

C21H17NO2S — CID 173032867

IUPAC1-(benzenesulfonyl)-2-(2-methylphenyl)indole
SMILESCc1ccccc1-c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17NO2S/c1-16-9-5-7-13-19(16)21-15-17-10-6-8-14-20(17)22(21)25(23,24)18-11-3-2-4-12-18/h2-15H,1H3
InChIKeyOGEBPHLBRQEVBI-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.85
Rot. Bonds3

About 1-(benzenesulfonyl)-2-(2-methylphenyl)indole

1-(benzenesulfonyl)-2-(2-methylphenyl)indole (PubChem CID 173032867) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(2-methylphenyl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(2-methylphenyl)indole
PubChem CID173032867
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name1-(benzenesulfonyl)-2-(2-methylphenyl)indole
SMILESCc1ccccc1-c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17NO2S/c1-16-9-5-7-13-19(16)21-15-17-10-6-8-14-20(17)22(21)25(23,24)18-11-3-2-4-12-18/h2-15H,1H3
InChIKeyOGEBPHLBRQEVBI-UHFFFAOYSA-N
XLogP4.85
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone
CID 174625594
CID 88588324
CID 88588324
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane
CID 15421387
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
1-(benzenesulfonyl)-2-(chloromethyl)indole
CID 18925433
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
methyl 2-[1-(benzenesulfonyl)indol-2-yl]pyridine-4-carboxylate
CID 10715529
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(2-methylphenyl)indole?
The IUPAC name of 1-(benzenesulfonyl)-2-(2-methylphenyl)indole (CID 173032867) is 1-(benzenesulfonyl)-2-(2-methylphenyl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(2-methylphenyl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(2-methylphenyl)indole is Cc1ccccc1-c1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(2-methylphenyl)indole?
The InChIKey is OGEBPHLBRQEVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-16-9-5-7-13-19(16)21-15-17-10-6-8-14-20(17)22(21)25(23,24)18-11-3-2-4-12-18/h2-15H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(2-methylphenyl)indole?
1-(benzenesulfonyl)-2-(2-methylphenyl)indole has a molecular weight of 347.44 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(2-methylphenyl)indole is sourced from PubChem (CID 173032867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).