1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone

C17H15NO3S — CID 134946374

IUPAC1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cn(S(C)(=O)=O)c3ccccc23)c1
InChIInChI=1S/C17H15NO3S/c1-12(19)13-6-5-7-14(10-13)16-11-18(22(2,20)21)17-9-4-3-8-15(16)17/h3-11H,1-2H3
InChIKeyGHOPNKNOIGYOPW-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.32
Rot. Bonds3

About 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone

1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone (PubChem CID 134946374) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone
PubChem CID134946374
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cn(S(C)(=O)=O)c3ccccc23)c1
InChIInChI=1S/C17H15NO3S/c1-12(19)13-6-5-7-14(10-13)16-11-18(22(2,20)21)17-9-4-3-8-15(16)17/h3-11H,1-2H3
InChIKeyGHOPNKNOIGYOPW-UHFFFAOYSA-N
XLogP3.32
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone (CID 134946374) is 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone is CC(=O)c1cccc(-c2cn(S(C)(=O)=O)c3ccccc23)c1.
What is the InChIKey of 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone?
The InChIKey is GHOPNKNOIGYOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12(19)13-6-5-7-14(10-13)16-11-18(22(2,20)21)17-9-4-3-8-15(16)17/h3-11H,1-2H3.
What are the key properties of 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone?
1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone has a molecular weight of 313.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanone is sourced from PubChem (CID 134946374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).