1-(benzenesulfonyl)-3-phenylindole

C20H15NO2S — CID 11110394

IUPAC1-(benzenesulfonyl)-3-phenylindole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15NO2S/c22-24(23,17-11-5-2-6-12-17)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)21/h1-15H
InChIKeyIGXNNNXVKQSHAC-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.55
Rot. Bonds3

About 1-(benzenesulfonyl)-3-phenylindole

1-(benzenesulfonyl)-3-phenylindole (PubChem CID 11110394) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-phenylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-phenylindole
PubChem CID11110394
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name1-(benzenesulfonyl)-3-phenylindole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15NO2S/c22-24(23,17-11-5-2-6-12-17)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)21/h1-15H
InChIKeyIGXNNNXVKQSHAC-UHFFFAOYSA-N
XLogP4.55
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-phenylindole?
The IUPAC name of 1-(benzenesulfonyl)-3-phenylindole (CID 11110394) is 1-(benzenesulfonyl)-3-phenylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-phenylindole?
The canonical SMILES for 1-(benzenesulfonyl)-3-phenylindole is O=S(=O)(c1ccccc1)n1cc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-phenylindole?
The InChIKey is IGXNNNXVKQSHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c22-24(23,17-11-5-2-6-12-17)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)21/h1-15H.
What are the key properties of 1-(benzenesulfonyl)-3-phenylindole?
1-(benzenesulfonyl)-3-phenylindole has a molecular weight of 333.41 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-phenylindole is sourced from PubChem (CID 11110394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).