5-(benzenesulfonyl)-2-phenyl-1H-indole

C20H15NO2S — CID 21432981

IUPAC5-(benzenesulfonyl)-2-phenyl-1H-indole
SMILESO=S(=O)(c1ccccc1)c1ccc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C20H15NO2S/c22-24(23,17-9-5-2-6-10-17)18-11-12-19-16(13-18)14-20(21-19)15-7-3-1-4-8-15/h1-14,21H
InChIKeyROSHQMGJEIFPLG-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.67
Rot. Bonds3

About 5-(benzenesulfonyl)-2-phenyl-1H-indole

5-(benzenesulfonyl)-2-phenyl-1H-indole (PubChem CID 21432981) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-phenyl-1H-indole
PubChem CID21432981
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name5-(benzenesulfonyl)-2-phenyl-1H-indole
SMILESO=S(=O)(c1ccccc1)c1ccc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C20H15NO2S/c22-24(23,17-9-5-2-6-10-17)18-11-12-19-16(13-18)14-20(21-19)15-7-3-1-4-8-15/h1-14,21H
InChIKeyROSHQMGJEIFPLG-UHFFFAOYSA-N
XLogP4.67
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-phenyl-1H-indole?
The IUPAC name of 5-(benzenesulfonyl)-2-phenyl-1H-indole (CID 21432981) is 5-(benzenesulfonyl)-2-phenyl-1H-indole.
What is the SMILES notation for 5-(benzenesulfonyl)-2-phenyl-1H-indole?
The canonical SMILES for 5-(benzenesulfonyl)-2-phenyl-1H-indole is O=S(=O)(c1ccccc1)c1ccc2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of 5-(benzenesulfonyl)-2-phenyl-1H-indole?
The InChIKey is ROSHQMGJEIFPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c22-24(23,17-9-5-2-6-10-17)18-11-12-19-16(13-18)14-20(21-19)15-7-3-1-4-8-15/h1-14,21H.
What are the key properties of 5-(benzenesulfonyl)-2-phenyl-1H-indole?
5-(benzenesulfonyl)-2-phenyl-1H-indole has a molecular weight of 333.41 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-phenyl-1H-indole is sourced from PubChem (CID 21432981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).