3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one

C14H20FN3O3S — CID 119678794

IUPAC3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-11(16)10-14(19)17-6-8-18(9-7-17)22(20,21)13-4-2-12(15)3-5-13/h2-5,11H,6-10,16H2,1H3
InChIKeyKRSWNXSDLVBXBI-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.40
Rot. Bonds4

About 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one

3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one (PubChem CID 119678794) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
PubChem CID119678794
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-11(16)10-14(19)17-6-8-18(9-7-17)22(20,21)13-4-2-12(15)3-5-13/h2-5,11H,6-10,16H2,1H3
InChIKeyKRSWNXSDLVBXBI-UHFFFAOYSA-N
XLogP0.40
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 119696008
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
CID 119685697
3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678846
(2R)-2-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119274736
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
3-(4-fluorophenyl)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]butan-1-one
CID 55923966
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847
2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120983562
2-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methylpentan-1-one
CID 119696007
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
2-chloro-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 156906193

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one (CID 119678794) is 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one is CC(N)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one?
The InChIKey is KRSWNXSDLVBXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-11(16)10-14(19)17-6-8-18(9-7-17)22(20,21)13-4-2-12(15)3-5-13/h2-5,11H,6-10,16H2,1H3.
What are the key properties of 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one?
3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one has a molecular weight of 329.40 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one is sourced from PubChem (CID 119678794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).