3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione

C12H12FNO4S — CID 147984036

IUPAC3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione
SMILESO=C1CCC(CS(=O)(=O)c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C12H12FNO4S/c13-9-2-1-3-10(6-9)19(17,18)7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7H2,(H,14,15,16)
InChIKeyITTZVMVNKINMIF-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.65
Rot. Bonds3

About 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione

3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione (PubChem CID 147984036) has the molecular formula C12H12FNO4S and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione
PubChem CID147984036
Molecular FormulaC12H12FNO4S
Molecular Weight285.30 g/mol
Exact Mass285.05
IUPAC Name3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione
SMILESO=C1CCC(CS(=O)(=O)c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C12H12FNO4S/c13-9-2-1-3-10(6-9)19(17,18)7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7H2,(H,14,15,16)
InChIKeyITTZVMVNKINMIF-UHFFFAOYSA-N
XLogP0.65
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione?
The IUPAC name of 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione (CID 147984036) is 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione is O=C1CCC(CS(=O)(=O)c2cccc(F)c2)C(=O)N1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione?
The InChIKey is ITTZVMVNKINMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4S/c13-9-2-1-3-10(6-9)19(17,18)7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7H2,(H,14,15,16).
What are the key properties of 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione?
3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione has a molecular weight of 285.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfonylmethyl]piperidine-2,6-dione is sourced from PubChem (CID 147984036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).