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

C26H23F2N3O3S — CID 16935942

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H23F2N3O3S/c27-19-9-11-20(12-10-19)35(33,34)25-17-31(23-7-3-1-5-21(23)25)18-26(32)30-15-13-29(14-16-30)24-8-4-2-6-22(24)28/h1-12,17H,13-16,18H2
InChIKeyCPNFYVKVUNTEPZ-UHFFFAOYSA-N
MW495.55 g/mol
LogP4.10
Rot. Bonds5

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

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone (PubChem CID 16935942) has the molecular formula C26H23F2N3O3S and a molecular weight of 495.55 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone
PubChem CID16935942
Molecular FormulaC26H23F2N3O3S
Molecular Weight495.55 g/mol
Exact Mass495.14
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H23F2N3O3S/c27-19-9-11-20(12-10-19)35(33,34)25-17-31(23-7-3-1-5-21(23)25)18-26(32)30-15-13-29(14-16-30)24-8-4-2-6-22(24)28/h1-12,17H,13-16,18H2
InChIKeyCPNFYVKVUNTEPZ-UHFFFAOYSA-N
XLogP4.10
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 16935745
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 30559725
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935925
1-(azepan-1-yl)-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]ethanone
CID 16935724
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562384
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylisoquinolin-1-one
CID 46247927
2-[3-(benzenesulfonyl)indol-1-yl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 16935321
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
2-[3-(benzenesulfonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935305
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone
CID 20902782
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
2-(4-fluorophenyl)-1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37405024

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone (CID 16935942) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone is O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone?
The InChIKey is CPNFYVKVUNTEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3S/c27-19-9-11-20(12-10-19)35(33,34)25-17-31(23-7-3-1-5-21(23)25)18-26(32)30-15-13-29(14-16-30)24-8-4-2-6-22(24)28/h1-12,17H,13-16,18H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone has a molecular weight of 495.55 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]ethanone is sourced from PubChem (CID 16935942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).