2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone

C16H15NO3S — CID 2990897

IUPAC2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H15NO3S/c18-16(12-21(19,20)14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)17/h1-9H,10-12H2
InChIKeyDZQRFXIGJQFHOP-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.05
Rot. Bonds3

About 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone

2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 2990897) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID2990897
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H15NO3S/c18-16(12-21(19,20)14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)17/h1-9H,10-12H2
InChIKeyDZQRFXIGJQFHOP-UHFFFAOYSA-N
XLogP2.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone (CID 2990897) is 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CS(=O)(=O)c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is DZQRFXIGJQFHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-16(12-21(19,20)14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)17/h1-9H,10-12H2.
What are the key properties of 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 301.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 2990897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).