1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone

C11H12FNO3S — CID 59468850

IUPAC1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(F)c(S(C)(=O)=O)cc21
InChIInChI=1S/C11H12FNO3S/c1-7(14)13-4-3-8-5-9(12)11(6-10(8)13)17(2,15)16/h5-6H,3-4H2,1-2H3
InChIKeySTVRYYFRKDLSLR-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.14
Rot. Bonds1

About 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone

1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 59468850) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID59468850
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(F)c(S(C)(=O)=O)cc21
InChIInChI=1S/C11H12FNO3S/c1-7(14)13-4-3-8-5-9(12)11(6-10(8)13)17(2,15)16/h5-6H,3-4H2,1-2H3
InChIKeySTVRYYFRKDLSLR-UHFFFAOYSA-N
XLogP1.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
CID 178096572
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-(7-fluoro-6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 132513887
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-fluorobenzenesulfonamide
CID 53092465
1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 118906183
1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 46503628
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone (CID 59468850) is 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(F)c(S(C)(=O)=O)cc21.
What is the InChIKey of 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is STVRYYFRKDLSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-7(14)13-4-3-8-5-9(12)11(6-10(8)13)17(2,15)16/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 257.29 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 59468850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).