1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one

C18H19NO3S — CID 759092

IUPAC1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)CCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO3S/c1-14-6-8-16(9-7-14)23(21,22)13-11-18(20)19-12-10-15-4-2-3-5-17(15)19/h2-9H,10-13H2,1H3
InChIKeyJFKRFXIKPJVZDD-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.75
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one

1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one (PubChem CID 759092) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
PubChem CID759092
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)CCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO3S/c1-14-6-8-16(9-7-14)23(21,22)13-11-18(20)19-12-10-15-4-2-3-5-17(15)19/h2-9H,10-13H2,1H3
InChIKeyJFKRFXIKPJVZDD-UHFFFAOYSA-N
XLogP2.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one 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-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one (CID 759092) is 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one is Cc1ccc(S(=O)(=O)CCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one?
The InChIKey is JFKRFXIKPJVZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-14-6-8-16(9-7-14)23(21,22)13-11-18(20)19-12-10-15-4-2-3-5-17(15)19/h2-9H,10-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one has a molecular weight of 329.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 759092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).