5-(benzenesulfonyl)-1,2-diphenylindole

C26H19NO2S — CID 21424353

IUPAC5-(benzenesulfonyl)-1,2-diphenylindole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)cc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H19NO2S/c28-30(29,23-14-8-3-9-15-23)24-16-17-25-21(18-24)19-26(20-10-4-1-5-11-20)27(25)22-12-6-2-7-13-22/h1-19H
InChIKeyHCFWIKDQUCOCLY-UHFFFAOYSA-N
MW409.51 g/mol
LogP6.13
Rot. Bonds4

About 5-(benzenesulfonyl)-1,2-diphenylindole

5-(benzenesulfonyl)-1,2-diphenylindole (PubChem CID 21424353) has the molecular formula C26H19NO2S and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1,2-diphenylindole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1,2-diphenylindole
PubChem CID21424353
Molecular FormulaC26H19NO2S
Molecular Weight409.51 g/mol
Exact Mass409.11
IUPAC Name5-(benzenesulfonyl)-1,2-diphenylindole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)cc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H19NO2S/c28-30(29,23-14-8-3-9-15-23)24-16-17-25-21(18-24)19-26(20-10-4-1-5-11-20)27(25)22-12-6-2-7-13-22/h1-19H
InChIKeyHCFWIKDQUCOCLY-UHFFFAOYSA-N
XLogP6.13
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1,2-diphenylindole?
The IUPAC name of 5-(benzenesulfonyl)-1,2-diphenylindole (CID 21424353) is 5-(benzenesulfonyl)-1,2-diphenylindole.
What is the SMILES notation for 5-(benzenesulfonyl)-1,2-diphenylindole?
The canonical SMILES for 5-(benzenesulfonyl)-1,2-diphenylindole is O=S(=O)(c1ccccc1)c1ccc2c(c1)cc(-c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-1,2-diphenylindole?
The InChIKey is HCFWIKDQUCOCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO2S/c28-30(29,23-14-8-3-9-15-23)24-16-17-25-21(18-24)19-26(20-10-4-1-5-11-20)27(25)22-12-6-2-7-13-22/h1-19H.
What are the key properties of 5-(benzenesulfonyl)-1,2-diphenylindole?
5-(benzenesulfonyl)-1,2-diphenylindole has a molecular weight of 409.51 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1,2-diphenylindole is sourced from PubChem (CID 21424353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).