3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one

C16H18Cl2N4O3S — CID 133447005

IUPAC3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1=O
InChIInChI=1S/C16H18Cl2N4O3S/c1-2-20-7-6-19-15(16(20)23)21-8-10-22(11-9-21)26(24,25)13-5-3-4-12(17)14(13)18/h3-7H,2,8-11H2,1H3
InChIKeyBFZFDTAVNKUNMC-UHFFFAOYSA-N
MW417.32 g/mol
LogP2.08
Rot. Bonds4

About 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one

3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one (PubChem CID 133447005) has the molecular formula C16H18Cl2N4O3S and a molecular weight of 417.32 g/mol. Its IUPAC name is 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one
PubChem CID133447005
Molecular FormulaC16H18Cl2N4O3S
Molecular Weight417.32 g/mol
Exact Mass416.05
IUPAC Name3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1=O
InChIInChI=1S/C16H18Cl2N4O3S/c1-2-20-7-6-19-15(16(20)23)21-8-10-22(11-9-21)26(24,25)13-5-3-4-12(17)14(13)18/h3-7H,2,8-11H2,1H3
InChIKeyBFZFDTAVNKUNMC-UHFFFAOYSA-N
XLogP2.08
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424339
1-[4-(2,3-Dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8405588
7-Chloro-2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 24492002
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
CID 24525765
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
CID 24685339
(2R)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 25550203
(2S)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 25550207
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 27194119
1-[4-(2,3-Dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
1-[2-[4-(3,4-Dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 40227778
2-[4-(2,3-Dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 42912187
2-[[4-(2,5-Dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 42998919

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one (CID 133447005) is 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one is CCn1ccnc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1=O.
What is the InChIKey of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one?
The InChIKey is BFZFDTAVNKUNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O3S/c1-2-20-7-6-19-15(16(20)23)21-8-10-22(11-9-21)26(24,25)13-5-3-4-12(17)14(13)18/h3-7H,2,8-11H2,1H3.
What are the key properties of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one?
3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one has a molecular weight of 417.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one is sourced from PubChem (CID 133447005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).