1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone

C17H15NO3S — CID 12925074

IUPAC1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone
SMILESCC(=O)c1ccc2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C17H15NO3S/c1-12-3-7-16(8-4-12)22(20,21)18-10-9-14-5-6-15(13(2)19)11-17(14)18/h3-11H,1-2H3
InChIKeyRUQOQMJUVANZGY-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.39
Rot. Bonds3

About 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone

1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone (PubChem CID 12925074) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone
PubChem CID12925074
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone
SMILESCC(=O)c1ccc2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C17H15NO3S/c1-12-3-7-16(8-4-12)22(20,21)18-10-9-14-5-6-15(13(2)19)11-17(14)18/h3-11H,1-2H3
InChIKeyRUQOQMJUVANZGY-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[1-(4-methylphenyl)sulfonylindol-6-yl]prop-2-en-1-ol
CID 122703575
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082
2-methyl-3-[1-(4-methylphenyl)sulfonylindol-6-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 139703317
1-[6-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-5-yl]ethanone
CID 86689856
5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
4-(4-fluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylindol-6-yl]ethenyl]benzoic acid
CID 67337489
4-(4-fluorophenyl)-2-[(E)-2-[1-(4-methylphenyl)sulfonylindol-6-yl]ethenyl]benzoic acid
CID 67337484
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
3-[1-(4-methylphenyl)sulfonylindol-5-yl]oxybenzoic acid
CID 167504687

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone (CID 12925074) is 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone is CC(=O)c1ccc2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone?
The InChIKey is RUQOQMJUVANZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12-3-7-16(8-4-12)22(20,21)18-10-9-14-5-6-15(13(2)19)11-17(14)18/h3-11H,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone?
1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone has a molecular weight of 313.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone is sourced from PubChem (CID 12925074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).