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

C14H19Cl2N3O3S — CID 119678846

IUPAC3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-10(17)8-14(20)18-4-6-19(7-5-18)23(21,22)11-2-3-12(15)13(16)9-11/h2-3,9-10H,4-8,17H2,1H3
InChIKeyUCQYLDKNHUBCSH-UHFFFAOYSA-N
MW380.30 g/mol
LogP1.56
Rot. Bonds4

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

3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one (PubChem CID 119678846) has the molecular formula C14H19Cl2N3O3S and a molecular weight of 380.30 g/mol. Its IUPAC name is 3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
PubChem CID119678846
Molecular FormulaC14H19Cl2N3O3S
Molecular Weight380.30 g/mol
Exact Mass379.05
IUPAC Name3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-10(17)8-14(20)18-4-6-19(7-5-18)23(21,22)11-2-3-12(15)13(16)9-11/h2-3,9-10H,4-8,17H2,1H3
InChIKeyUCQYLDKNHUBCSH-UHFFFAOYSA-N
XLogP1.56
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678794
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 8925068
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
CID 119685697
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 9496652
3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
3-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 119696008
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 55648299
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119678843
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 26869391
(3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 27521360

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one (CID 119678846) is 3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one is CC(N)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one?
The InChIKey is UCQYLDKNHUBCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3S/c1-10(17)8-14(20)18-4-6-19(7-5-18)23(21,22)11-2-3-12(15)13(16)9-11/h2-3,9-10H,4-8,17H2,1H3.
What are the key properties of 3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one?
3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one has a molecular weight of 380.30 g/mol, XLogP of 1.56, 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-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one is sourced from PubChem (CID 119678846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).