1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone

C18H18N2O3S — CID 2940687

IUPAC1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CCc4ccccc43)cc21
InChIInChI=1S/C18H18N2O3S/c1-13(21)19-10-8-15-6-7-16(12-18(15)19)24(22,23)20-11-9-14-4-2-3-5-17(14)20/h2-7,12H,8-11H2,1H3
InChIKeyFQPPMRJSCVJZGX-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.35
Rot. Bonds2

About 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone

1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 2940687) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID2940687
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CCc4ccccc43)cc21
InChIInChI=1S/C18H18N2O3S/c1-13(21)19-10-8-15-6-7-16(12-18(15)19)24(22,23)20-11-9-14-4-2-3-5-17(14)20/h2-7,12H,8-11H2,1H3
InChIKeyFQPPMRJSCVJZGX-UHFFFAOYSA-N
XLogP2.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone (CID 2940687) is 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(S(=O)(=O)N3CCc4ccccc43)cc21.
What is the InChIKey of 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is FQPPMRJSCVJZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13(21)19-10-8-15-6-7-16(12-18(15)19)24(22,23)20-11-9-14-4-2-3-5-17(14)20/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 342.42 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 2940687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).