1-benzylsulfonyl-2,3-dihydroindole

C15H15NO2S — CID 870979

IUPAC1-benzylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(Cc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C15H15NO2S/c17-19(18,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2
InChIKeyHEGWNXJQSXOTMK-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.58
Rot. Bonds3

About 1-benzylsulfonyl-2,3-dihydroindole

1-benzylsulfonyl-2,3-dihydroindole (PubChem CID 870979) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-benzylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-benzylsulfonyl-2,3-dihydroindole
PubChem CID870979
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-benzylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(Cc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C15H15NO2S/c17-19(18,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2
InChIKeyHEGWNXJQSXOTMK-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzylsulfonyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-benzylsulfonyl-2,3-dihydroindole (CID 870979) is 1-benzylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-benzylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-benzylsulfonyl-2,3-dihydroindole is O=S(=O)(Cc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-benzylsulfonyl-2,3-dihydroindole?
The InChIKey is HEGWNXJQSXOTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-19(18,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2.
What are the key properties of 1-benzylsulfonyl-2,3-dihydroindole?
1-benzylsulfonyl-2,3-dihydroindole has a molecular weight of 273.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 870979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).