1-(1-ethylsulfonylindol-3-yl)ethanone

C12H13NO3S — CID 118447167

IUPAC1-(1-ethylsulfonylindol-3-yl)ethanone
SMILESCCS(=O)(=O)n1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C12H13NO3S/c1-3-17(15,16)13-8-11(9(2)14)10-6-4-5-7-12(10)13/h4-8H,3H2,1-2H3
InChIKeyWAPZKHCEXIUBEW-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.04
Rot. Bonds3

About 1-(1-ethylsulfonylindol-3-yl)ethanone

1-(1-ethylsulfonylindol-3-yl)ethanone (PubChem CID 118447167) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(1-ethylsulfonylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethylsulfonylindol-3-yl)ethanone
PubChem CID118447167
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name1-(1-ethylsulfonylindol-3-yl)ethanone
SMILESCCS(=O)(=O)n1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C12H13NO3S/c1-3-17(15,16)13-8-11(9(2)14)10-6-4-5-7-12(10)13/h4-8H,3H2,1-2H3
InChIKeyWAPZKHCEXIUBEW-UHFFFAOYSA-N
XLogP2.04
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylindol-3-yl)ethanone?
The IUPAC name of 1-(1-ethylsulfonylindol-3-yl)ethanone (CID 118447167) is 1-(1-ethylsulfonylindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethylsulfonylindol-3-yl)ethanone?
The canonical SMILES for 1-(1-ethylsulfonylindol-3-yl)ethanone is CCS(=O)(=O)n1cc(C(C)=O)c2ccccc21.
What is the InChIKey of 1-(1-ethylsulfonylindol-3-yl)ethanone?
The InChIKey is WAPZKHCEXIUBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-3-17(15,16)13-8-11(9(2)14)10-6-4-5-7-12(10)13/h4-8H,3H2,1-2H3.
What are the key properties of 1-(1-ethylsulfonylindol-3-yl)ethanone?
1-(1-ethylsulfonylindol-3-yl)ethanone has a molecular weight of 251.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylindol-3-yl)ethanone is sourced from PubChem (CID 118447167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).