3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione

C12H12ClNO4S — CID 159430074

IUPAC3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione
SMILESO=C1CCC(CS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C12H12ClNO4S/c13-9-2-4-10(5-3-9)19(17,18)7-8-1-6-11(15)14-12(8)16/h2-5,8H,1,6-7H2,(H,14,15,16)
InChIKeyLQWHIMHUNQNNLT-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.17
Rot. Bonds3

About 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione

3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione (PubChem CID 159430074) has the molecular formula C12H12ClNO4S and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione
PubChem CID159430074
Molecular FormulaC12H12ClNO4S
Molecular Weight301.75 g/mol
Exact Mass301.02
IUPAC Name3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione
SMILESO=C1CCC(CS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C12H12ClNO4S/c13-9-2-4-10(5-3-9)19(17,18)7-8-1-6-11(15)14-12(8)16/h2-5,8H,1,6-7H2,(H,14,15,16)
InChIKeyLQWHIMHUNQNNLT-UHFFFAOYSA-N
XLogP1.17
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}piperidine-4-carboxamide
CID 2821923
3-(Benzenesulfonylmethyl)piperidine-2,6-dione
CID 158985943
3-[(4-Fluorophenyl)sulfonylmethyl]piperidine-2,6-dione
CID 161876221
3-[(4-Chlorophenyl)sulfanylmethyl]-1-methylpiperidine-2,6-dione
CID 172449547
3-[(4-Chlorophenyl)sulfanylmethyl]piperidine-2,6-dione
CID 172458014
3-(3-Chlorophenyl)sulfanylpiperidine-2,6-dione
CID 142623410
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide
CID 58245609
2-[(4-Chlorophenyl)sulfonylmethyl]-6-fluorohexanamide
CID 58245612
3-[(3-Fluorophenyl)sulfonylmethyl]piperidine-2,6-dione
CID 147984036
3-[(2-Fluorophenyl)sulfonylmethyl]piperidine-2,6-dione
CID 160140132
3-(4-Chlorophenyl)sulfanylpiperidine-2,6-dione
CID 142623393
(3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione
CID 166449449

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione (CID 159430074) is 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione is O=C1CCC(CS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione?
The InChIKey is LQWHIMHUNQNNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4S/c13-9-2-4-10(5-3-9)19(17,18)7-8-1-6-11(15)14-12(8)16/h2-5,8H,1,6-7H2,(H,14,15,16).
What are the key properties of 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione?
3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione has a molecular weight of 301.75 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylmethyl]piperidine-2,6-dione is sourced from PubChem (CID 159430074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).