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

C21H17NO2S — CID 24905446

IUPAC1-(4-methylphenyl)sulfonyl-2-phenylindole
SMILESCc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C21H17NO2S/c1-16-11-13-19(14-12-16)25(23,24)22-20-10-6-5-9-18(20)15-21(22)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyLAGRFGGUEVZPSO-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.85
Rot. Bonds3

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

1-(4-methylphenyl)sulfonyl-2-phenylindole (PubChem CID 24905446) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-phenylindole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-phenylindole
PubChem CID24905446
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name1-(4-methylphenyl)sulfonyl-2-phenylindole
SMILESCc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C21H17NO2S/c1-16-11-13-19(14-12-16)25(23,24)22-20-10-6-5-9-18(20)15-21(22)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyLAGRFGGUEVZPSO-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylindole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylindole (CID 24905446) is 1-(4-methylphenyl)sulfonyl-2-phenylindole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-phenylindole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-phenylindole is Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-phenylindole?
The InChIKey is LAGRFGGUEVZPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-16-11-13-19(14-12-16)25(23,24)22-20-10-6-5-9-18(20)15-21(22)17-7-3-2-4-8-17/h2-15H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-phenylindole?
1-(4-methylphenyl)sulfonyl-2-phenylindole 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-(4-methylphenyl)sulfonyl-2-phenylindole is sourced from PubChem (CID 24905446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).