2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C22H23FN2O3S — CID 16935925

IUPAC2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C22H23FN2O3S/c1-16-10-12-24(13-11-16)22(26)15-25-14-21(19-4-2-3-5-20(19)25)29(27,28)18-8-6-17(23)7-9-18/h2-9,14,16H,10-13,15H2,1H3
InChIKeyRRMWKMYCFQAXSH-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.87
Rot. Bonds4

About 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 16935925) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID16935925
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C22H23FN2O3S/c1-16-10-12-24(13-11-16)22(26)15-25-14-21(19-4-2-3-5-20(19)25)29(27,28)18-8-6-17(23)7-9-18/h2-9,14,16H,10-13,15H2,1H3
InChIKeyRRMWKMYCFQAXSH-UHFFFAOYSA-N
XLogP3.87
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(benzenesulfonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935305
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone
CID 16935942
1-(azepan-1-yl)-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]ethanone
CID 16935724
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935986
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 16935745
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 820162
N-[(4-methylphenyl)methyl]-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
CID 18563678
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 43958432
N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
CID 18563649

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 16935925) is 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)CC1.
What is the InChIKey of 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is RRMWKMYCFQAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-16-10-12-24(13-11-16)22(26)15-25-14-21(19-4-2-3-5-20(19)25)29(27,28)18-8-6-17(23)7-9-18/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 414.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16935925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).