2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

C18H20FN3O3S — CID 119678772

IUPAC2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CNc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-12-10-21(11-13-22)18(23)14-20-16-4-2-1-3-5-16/h1-9,20H,10-14H2
InChIKeyJIAUAETXCYWZDT-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.77
Rot. Bonds5

About 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 119678772) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID119678772
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CNc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-12-10-21(11-13-22)18(23)14-20-16-4-2-1-3-5-16/h1-9,20H,10-14H2
InChIKeyJIAUAETXCYWZDT-UHFFFAOYSA-N
XLogP1.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119678771
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-nitroanilino)ethanone
CID 9082198
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,5-difluoroanilino)ethanone
CID 51252716
2-anilino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 119687790
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154799
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119678883
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyanilino)ethanone
CID 55897884
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-fluoroanilino)ethanone
CID 51490486
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 39983067
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)anilino]ethanone
CID 51484112
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluoro-4-methylanilino)ethanone
CID 9101098

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 119678772) is 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is O=C(CNc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is JIAUAETXCYWZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-12-10-21(11-13-22)18(23)14-20-16-4-2-1-3-5-16/h1-9,20H,10-14H2.
What are the key properties of 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 377.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 119678772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).