1-[1-(benzenesulfonyl)indol-3-yl]ethanone

C16H13NO3S — CID 848535

IUPAC1-[1-(benzenesulfonyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NO3S/c1-12(18)15-11-17(16-10-6-5-9-14(15)16)21(19,20)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyBCTGWINDWUUVQL-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.08
Rot. Bonds3

About 1-[1-(benzenesulfonyl)indol-3-yl]ethanone

1-[1-(benzenesulfonyl)indol-3-yl]ethanone (PubChem CID 848535) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)indol-3-yl]ethanone
PubChem CID848535
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name1-[1-(benzenesulfonyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NO3S/c1-12(18)15-11-17(16-10-6-5-9-14(15)16)21(19,20)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyBCTGWINDWUUVQL-UHFFFAOYSA-N
XLogP3.08
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)indol-3-yl]ethanone?
The IUPAC name of 1-[1-(benzenesulfonyl)indol-3-yl]ethanone (CID 848535) is 1-[1-(benzenesulfonyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(benzenesulfonyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[1-(benzenesulfonyl)indol-3-yl]ethanone is CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-[1-(benzenesulfonyl)indol-3-yl]ethanone?
The InChIKey is BCTGWINDWUUVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-12(18)15-11-17(16-10-6-5-9-14(15)16)21(19,20)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)indol-3-yl]ethanone?
1-[1-(benzenesulfonyl)indol-3-yl]ethanone has a molecular weight of 299.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)indol-3-yl]ethanone is sourced from PubChem (CID 848535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).