1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione

C17H21Cl2N3O4S — CID 27377700

IUPAC1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H21Cl2N3O4S/c18-13-3-1-4-14(17(13)19)20-7-9-21(10-8-20)27(25,26)12-11-22-15(23)5-2-6-16(22)24/h1,3-4H,2,5-12H2
InChIKeyWNKXGYHGCYZLNU-UHFFFAOYSA-N
MW434.35 g/mol
LogP1.98
Rot. Bonds5

About 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 27377700) has the molecular formula C17H21Cl2N3O4S and a molecular weight of 434.35 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID27377700
Molecular FormulaC17H21Cl2N3O4S
Molecular Weight434.35 g/mol
Exact Mass433.06
IUPAC Name1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H21Cl2N3O4S/c18-13-3-1-4-14(17(13)19)20-7-9-21(10-8-20)27(25,26)12-11-22-15(23)5-2-6-16(22)24/h1,3-4H,2,5-12H2
InChIKeyWNKXGYHGCYZLNU-UHFFFAOYSA-N
XLogP1.98
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 27377700) is 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is WNKXGYHGCYZLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O4S/c18-13-3-1-4-14(17(13)19)20-7-9-21(10-8-20)27(25,26)12-11-22-15(23)5-2-6-16(22)24/h1,3-4H,2,5-12H2.
What are the key properties of 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 434.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 27377700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).