4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one

C16H19Cl2N3O4S — CID 4792979

IUPAC4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CCN1
InChIInChI=1S/C16H19Cl2N3O4S/c17-12-2-1-3-13(15(12)18)26(24,25)21-7-4-11(5-8-21)16(23)20-9-6-19-14(22)10-20/h1-3,11H,4-10H2,(H,19,22)
InChIKeyAOGYHWBJRDZUJI-UHFFFAOYSA-N
MW420.32 g/mol
LogP1.35
Rot. Bonds3

About 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one

4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one (PubChem CID 4792979) has the molecular formula C16H19Cl2N3O4S and a molecular weight of 420.32 g/mol. Its IUPAC name is 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one
PubChem CID4792979
Molecular FormulaC16H19Cl2N3O4S
Molecular Weight420.32 g/mol
Exact Mass419.05
IUPAC Name4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CCN1
InChIInChI=1S/C16H19Cl2N3O4S/c17-12-2-1-3-13(15(12)18)26(24,25)21-7-4-11(5-8-21)16(23)20-9-6-19-14(22)10-20/h1-3,11H,4-10H2,(H,19,22)
InChIKeyAOGYHWBJRDZUJI-UHFFFAOYSA-N
XLogP1.35
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one?
The IUPAC name of 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one (CID 4792979) is 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one is O=C1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CCN1.
What is the InChIKey of 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one?
The InChIKey is AOGYHWBJRDZUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O4S/c17-12-2-1-3-13(15(12)18)26(24,25)21-7-4-11(5-8-21)16(23)20-9-6-19-14(22)10-20/h1-3,11H,4-10H2,(H,19,22).
What are the key properties of 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one?
4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one has a molecular weight of 420.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 4792979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).