1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone

C14H19Cl2N3O3S — CID 39975356

IUPAC1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-17(2)10-13(20)18-6-8-19(9-7-18)23(21,22)12-5-3-4-11(15)14(12)16/h3-5H,6-10H2,1-2H3
InChIKeyYOONKCWBUOZYGL-UHFFFAOYSA-N
MW380.30 g/mol
LogP1.39
Rot. Bonds4

About 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone

1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 39975356) has the molecular formula C14H19Cl2N3O3S and a molecular weight of 380.30 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
PubChem CID39975356
Molecular FormulaC14H19Cl2N3O3S
Molecular Weight380.30 g/mol
Exact Mass379.05
IUPAC Name1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-17(2)10-13(20)18-6-8-19(9-7-18)23(21,22)12-5-3-4-11(15)14(12)16/h3-5H,6-10H2,1-2H3
InChIKeyYOONKCWBUOZYGL-UHFFFAOYSA-N
XLogP1.39
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 27563305
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 55687787
3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 78862170
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 26204875
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 55702670
2-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119265778
2,3-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967368
3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 27163542
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55882494
methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 46435299

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone (CID 39975356) is 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is YOONKCWBUOZYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3S/c1-17(2)10-13(20)18-6-8-19(9-7-18)23(21,22)12-5-3-4-11(15)14(12)16/h3-5H,6-10H2,1-2H3.
What are the key properties of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone?
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 380.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 39975356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).