4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione

C9H8ClN3O4S — CID 66083611

IUPAC4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2cnccc2Cl)CC(=O)N1
InChIInChI=1S/C9H8ClN3O4S/c10-6-1-2-11-3-7(6)18(16,17)13-4-8(14)12-9(15)5-13/h1-3H,4-5H2,(H,12,14,15)
InChIKeyTXLWEQBTXVFHQW-UHFFFAOYSA-N
MW289.70 g/mol
LogP-0.62
Rot. Bonds2

About 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione

4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione (PubChem CID 66083611) has the molecular formula C9H8ClN3O4S and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
PubChem CID66083611
Molecular FormulaC9H8ClN3O4S
Molecular Weight289.70 g/mol
Exact Mass288.99
IUPAC Name4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2cnccc2Cl)CC(=O)N1
InChIInChI=1S/C9H8ClN3O4S/c10-6-1-2-11-3-7(6)18(16,17)13-4-8(14)12-9(15)5-13/h1-3H,4-5H2,(H,12,14,15)
InChIKeyTXLWEQBTXVFHQW-UHFFFAOYSA-N
XLogP-0.62
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
CID 66061070
4-[(4-chloro-3-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66068360
2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113335667
4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
CID 66062238
4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine
CID 114408724
(3R)-1-[(4-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 104940811
4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
CID 66083632
2-[(4-chloro-3-pyridinyl)sulfonyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096767
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083027
2-[4-[4-[(4-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 70659765
8-chloro-5-piperazin-1-ylsulfonylisoquinoline
CID 3653475
4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
CID 114795554

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione?
The IUPAC name of 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione (CID 66083611) is 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione is O=C1CN(S(=O)(=O)c2cnccc2Cl)CC(=O)N1.
What is the InChIKey of 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione?
The InChIKey is TXLWEQBTXVFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O4S/c10-6-1-2-11-3-7(6)18(16,17)13-4-8(14)12-9(15)5-13/h1-3H,4-5H2,(H,12,14,15).
What are the key properties of 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione?
4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione has a molecular weight of 289.70 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione is sourced from PubChem (CID 66083611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).