3-(benzenesulfonyl)-1-(2-phenylethyl)indole

C22H19NO2S — CID 122715418

IUPAC3-(benzenesulfonyl)-1-(2-phenylethyl)indole
SMILESO=S(=O)(c1ccccc1)c1cn(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C22H19NO2S/c24-26(25,19-11-5-2-6-12-19)22-17-23(21-14-8-7-13-20(21)22)16-15-18-9-3-1-4-10-18/h1-14,17H,15-16H2
InChIKeyHRTCVVGZCKMZGG-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.72
Rot. Bonds5

About 3-(benzenesulfonyl)-1-(2-phenylethyl)indole

3-(benzenesulfonyl)-1-(2-phenylethyl)indole (PubChem CID 122715418) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(2-phenylethyl)indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(2-phenylethyl)indole
PubChem CID122715418
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name3-(benzenesulfonyl)-1-(2-phenylethyl)indole
SMILESO=S(=O)(c1ccccc1)c1cn(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C22H19NO2S/c24-26(25,19-11-5-2-6-12-19)22-17-23(21-14-8-7-13-20(21)22)16-15-18-9-3-1-4-10-18/h1-14,17H,15-16H2
InChIKeyHRTCVVGZCKMZGG-UHFFFAOYSA-N
XLogP4.72
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(2-phenylethyl)indole?
The IUPAC name of 3-(benzenesulfonyl)-1-(2-phenylethyl)indole (CID 122715418) is 3-(benzenesulfonyl)-1-(2-phenylethyl)indole.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(2-phenylethyl)indole?
The canonical SMILES for 3-(benzenesulfonyl)-1-(2-phenylethyl)indole is O=S(=O)(c1ccccc1)c1cn(CCc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-1-(2-phenylethyl)indole?
The InChIKey is HRTCVVGZCKMZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c24-26(25,19-11-5-2-6-12-19)22-17-23(21-14-8-7-13-20(21)22)16-15-18-9-3-1-4-10-18/h1-14,17H,15-16H2.
What are the key properties of 3-(benzenesulfonyl)-1-(2-phenylethyl)indole?
3-(benzenesulfonyl)-1-(2-phenylethyl)indole has a molecular weight of 361.47 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(2-phenylethyl)indole is sourced from PubChem (CID 122715418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).