1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone

C11H10FNO3S — CID 118447151

IUPAC1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone
SMILESCC(=O)c1cn(S(C)(=O)=O)c2ccc(F)cc12
InChIInChI=1S/C11H10FNO3S/c1-7(14)10-6-13(17(2,15)16)11-4-3-8(12)5-9(10)11/h3-6H,1-2H3
InChIKeyUFQRMXQCRPFAEX-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.79
Rot. Bonds2

About 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone

1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone (PubChem CID 118447151) has the molecular formula C11H10FNO3S and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone
PubChem CID118447151
Molecular FormulaC11H10FNO3S
Molecular Weight255.27 g/mol
Exact Mass255.04
IUPAC Name1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone
SMILESCC(=O)c1cn(S(C)(=O)=O)c2ccc(F)cc12
InChIInChI=1S/C11H10FNO3S/c1-7(14)10-6-13(17(2,15)16)11-4-3-8(12)5-9(10)11/h3-6H,1-2H3
InChIKeyUFQRMXQCRPFAEX-UHFFFAOYSA-N
XLogP1.79
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-methylsulfonylindole-3-carboxylic acid
CID 90030984
1-(5-fluoro-1-methylsulfonylindol-3-yl)propan-1-one
CID 134345481
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216
1-(6-fluoro-1-methylindol-3-yl)ethanone
CID 16751568
1-[1-(2,3-dihydroxypropyl)-5-fluoroindol-3-yl]ethanone
CID 117098722
1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone
CID 117098731
dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate
CID 122217603
5-fluoro-1-methylsulfinylindole-3-carboxylic acid
CID 144556986
1-(1-ethylsulfonylindol-3-yl)ethanone
CID 118447167
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
1-(5-fluoro-3-hydroxyindol-1-yl)ethanone
CID 54290533
propan-2-yl 3-acetyl-1-(benzenesulfonyl)indole-5-carboxylate
CID 21304522

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone?
The IUPAC name of 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone (CID 118447151) is 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone is CC(=O)c1cn(S(C)(=O)=O)c2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone?
The InChIKey is UFQRMXQCRPFAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3S/c1-7(14)10-6-13(17(2,15)16)11-4-3-8(12)5-9(10)11/h3-6H,1-2H3.
What are the key properties of 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone?
1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone has a molecular weight of 255.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone is sourced from PubChem (CID 118447151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).