1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone

C12H15NO4S — CID 117036710

IUPAC1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCO)ccc21
InChIInChI=1S/C12H15NO4S/c1-9(15)13-5-4-10-8-11(2-3-12(10)13)18(16,17)7-6-14/h2-3,8,14H,4-7H2,1H3
InChIKeyMYJHXEQMFLLLCW-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.36
Rot. Bonds3

About 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone

1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 117036710) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID117036710
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCO)ccc21
InChIInChI=1S/C12H15NO4S/c1-9(15)13-5-4-10-8-11(2-3-12(10)13)18(16,17)7-6-14/h2-3,8,14H,4-7H2,1H3
InChIKeyMYJHXEQMFLLLCW-UHFFFAOYSA-N
XLogP0.36
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoic acid
CID 3239436
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
1-acetyl-N-[1-(hydroxymethyl)cyclopropyl]-2,3-dihydroindole-5-sulfonamide
CID 115902948
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 126459390
1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)propanamide
CID 20853373
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 15997280

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone (CID 117036710) is 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)CCO)ccc21.
What is the InChIKey of 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MYJHXEQMFLLLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-9(15)13-5-4-10-8-11(2-3-12(10)13)18(16,17)7-6-14/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 269.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 117036710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).