1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone

C20H23Cl2N3O3S — CID 55437561

IUPAC1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H23Cl2N3O3S/c1-2-23(16-7-4-3-5-8-16)15-19(26)24-11-13-25(14-12-24)29(27,28)20-17(21)9-6-10-18(20)22/h3-10H,2,11-15H2,1H3
InChIKeyIHFIVIUREJEPGZ-UHFFFAOYSA-N
MW456.40 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone

1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone (PubChem CID 55437561) has the molecular formula C20H23Cl2N3O3S and a molecular weight of 456.40 g/mol. Its IUPAC name is 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone.

Molecular Properties

Compound Name1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone
PubChem CID55437561
Molecular FormulaC20H23Cl2N3O3S
Molecular Weight456.40 g/mol
Exact Mass455.08
IUPAC Name1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H23Cl2N3O3S/c1-2-23(16-7-4-3-5-8-16)15-19(26)24-11-13-25(14-12-24)29(27,28)20-17(21)9-6-10-18(20)22/h3-10H,2,11-15H2,1H3
InChIKeyIHFIVIUREJEPGZ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone?
The IUPAC name of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone (CID 55437561) is 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone.
What is the SMILES notation for 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone?
The canonical SMILES for 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone is CCN(CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone?
The InChIKey is IHFIVIUREJEPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3S/c1-2-23(16-7-4-3-5-8-16)15-19(26)24-11-13-25(14-12-24)29(27,28)20-17(21)9-6-10-18(20)22/h3-10H,2,11-15H2,1H3.
What are the key properties of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone?
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone has a molecular weight of 456.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone is sourced from PubChem (CID 55437561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).