2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone

C12H16ClN3O3S — CID 119265370

IUPAC2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-15(6-8-16)12(17)9-14/h1-4H,5-9,14H2
InChIKeyVDFDOWXYVVNTDK-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.13
Rot. Bonds3

About 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone

2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 119265370) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID119265370
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-15(6-8-16)12(17)9-14/h1-4H,5-9,14H2
InChIKeyVDFDOWXYVVNTDK-UHFFFAOYSA-N
XLogP0.13
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119265301
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
2-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]ethanone
CID 98781730
4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 55771420
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112799963
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,5-dichlorobenzoate
CID 16523234
2-amino-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119270072
(3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 27521360
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 4850064
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-ethoxyacetate
CID 8709251
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 119265370) is 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone is NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is VDFDOWXYVVNTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-15(6-8-16)12(17)9-14/h1-4H,5-9,14H2.
What are the key properties of 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 317.80 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 119265370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).