4-(2-methylsulfonylphenyl)-1-phenylindole

C21H17NO2S — CID 67640939

IUPAC4-(2-methylsulfonylphenyl)-1-phenylindole
SMILESCS(=O)(=O)c1ccccc1-c1cccc2c1ccn2-c1ccccc1
InChIInChI=1S/C21H17NO2S/c1-25(23,24)21-13-6-5-10-19(21)17-11-7-12-20-18(17)14-15-22(20)16-8-3-2-4-9-16/h2-15H,1H3
InChIKeyDVSLBWBZIAJKPV-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.70
Rot. Bonds3

About 4-(2-methylsulfonylphenyl)-1-phenylindole

4-(2-methylsulfonylphenyl)-1-phenylindole (PubChem CID 67640939) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(2-methylsulfonylphenyl)-1-phenylindole.

Molecular Properties

Compound Name4-(2-methylsulfonylphenyl)-1-phenylindole
PubChem CID67640939
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name4-(2-methylsulfonylphenyl)-1-phenylindole
SMILESCS(=O)(=O)c1ccccc1-c1cccc2c1ccn2-c1ccccc1
InChIInChI=1S/C21H17NO2S/c1-25(23,24)21-13-6-5-10-19(21)17-11-7-12-20-18(17)14-15-22(20)16-8-3-2-4-9-16/h2-15H,1H3
InChIKeyDVSLBWBZIAJKPV-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylphenyl)-1-phenylindole?
The IUPAC name of 4-(2-methylsulfonylphenyl)-1-phenylindole (CID 67640939) is 4-(2-methylsulfonylphenyl)-1-phenylindole.
What is the SMILES notation for 4-(2-methylsulfonylphenyl)-1-phenylindole?
The canonical SMILES for 4-(2-methylsulfonylphenyl)-1-phenylindole is CS(=O)(=O)c1ccccc1-c1cccc2c1ccn2-c1ccccc1.
What is the InChIKey of 4-(2-methylsulfonylphenyl)-1-phenylindole?
The InChIKey is DVSLBWBZIAJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-25(23,24)21-13-6-5-10-19(21)17-11-7-12-20-18(17)14-15-22(20)16-8-3-2-4-9-16/h2-15H,1H3.
What are the key properties of 4-(2-methylsulfonylphenyl)-1-phenylindole?
4-(2-methylsulfonylphenyl)-1-phenylindole has a molecular weight of 347.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylphenyl)-1-phenylindole is sourced from PubChem (CID 67640939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).