2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone

C20H23Cl2N3O3S — CID 55409398

IUPAC2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)Cc1ccccc1
InChIInChI=1S/C20H23Cl2N3O3S/c1-23(14-16-6-3-2-4-7-16)15-19(26)24-10-12-25(13-11-24)29(27,28)20-17(21)8-5-9-18(20)22/h2-9H,10-15H2,1H3
InChIKeyCJPZXUUILQQXSE-UHFFFAOYSA-N
MW456.40 g/mol
LogP2.96
Rot. Bonds6

About 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone

2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 55409398) has the molecular formula C20H23Cl2N3O3S and a molecular weight of 456.40 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID55409398
Molecular FormulaC20H23Cl2N3O3S
Molecular Weight456.40 g/mol
Exact Mass455.08
IUPAC Name2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)Cc1ccccc1
InChIInChI=1S/C20H23Cl2N3O3S/c1-23(14-16-6-3-2-4-7-16)15-19(26)24-10-12-25(13-11-24)29(27,28)20-17(21)8-5-9-18(20)22/h2-9H,10-15H2,1H3
InChIKeyCJPZXUUILQQXSE-UHFFFAOYSA-N
XLogP2.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27133695
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone
CID 55437561
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 8908808
methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 46435299
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 8760904
2-amino-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119270072
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 4824777
3-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911648
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 26181380
4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094199

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 55409398) is 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone is CN(CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is CJPZXUUILQQXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3S/c1-23(14-16-6-3-2-4-7-16)15-19(26)24-10-12-25(13-11-24)29(27,28)20-17(21)8-5-9-18(20)22/h2-9H,10-15H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 456.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 55409398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).