1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone

C12H15F2N3O3S — CID 60984608

IUPAC1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2c(F)cc(N)cc2F)CC1
InChIInChI=1S/C12H15F2N3O3S/c1-8(18)16-2-4-17(5-3-16)21(19,20)12-10(13)6-9(15)7-11(12)14/h6-7H,2-5,15H2,1H3
InChIKeyVSDVMIRPLHEUFE-UHFFFAOYSA-N
MW319.33 g/mol
LogP0.40
Rot. Bonds2

About 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone

1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 60984608) has the molecular formula C12H15F2N3O3S and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID60984608
Molecular FormulaC12H15F2N3O3S
Molecular Weight319.33 g/mol
Exact Mass319.08
IUPAC Name1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2c(F)cc(N)cc2F)CC1
InChIInChI=1S/C12H15F2N3O3S/c1-8(18)16-2-4-17(5-3-16)21(19,20)12-10(13)6-9(15)7-11(12)14/h6-7H,2-5,15H2,1H3
InChIKeyVSDVMIRPLHEUFE-UHFFFAOYSA-N
XLogP0.40
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[4-(4-amino-2,6-difluorophenyl)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

1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
1-[4-(2-amino-6-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 43452392
3,5-difluoro-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542789
3,5-difluoro-4-(2-methylmorpholin-4-yl)sulfonylaniline
CID 54888968
1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110817100
1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 154866656
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-yn-1-one
CID 154704989
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3,5-difluoroaniline
CID 82751721
1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212543
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-methylbut-2-en-1-one
CID 26869912
3,5-difluoro-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390370
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 60984608) is 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2c(F)cc(N)cc2F)CC1.
What is the InChIKey of 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is VSDVMIRPLHEUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O3S/c1-8(18)16-2-4-17(5-3-16)21(19,20)12-10(13)6-9(15)7-11(12)14/h6-7H,2-5,15H2,1H3.
What are the key properties of 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 319.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 60984608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).