3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one

C9H12ClN3O3S — CID 95434185

IUPAC3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
SMILESO=c1[nH]cc(S(=O)(=O)N2CCNCC2)cc1Cl
InChIInChI=1S/C9H12ClN3O3S/c10-8-5-7(6-12-9(8)14)17(15,16)13-3-1-11-2-4-13/h5-6,11H,1-4H2,(H,12,14)
InChIKeyKPGKDESGRYBOLF-UHFFFAOYSA-N
MW277.73 g/mol
LogP-0.38
Rot. Bonds2

About 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one

3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one (PubChem CID 95434185) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
PubChem CID95434185
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
SMILESO=c1[nH]cc(S(=O)(=O)N2CCNCC2)cc1Cl
InChIInChI=1S/C9H12ClN3O3S/c10-8-5-7(6-12-9(8)14)17(15,16)13-3-1-11-2-4-13/h5-6,11H,1-4H2,(H,12,14)
InChIKeyKPGKDESGRYBOLF-UHFFFAOYSA-N
XLogP-0.38
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607501
3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608428
3-chloro-5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608867
3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64608490
3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64609062
3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
CID 114490490
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607116
methyl 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxylate
CID 64607854
3-chloro-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1H-pyridin-2-one
CID 64607284
3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 64608278
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339
3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64606726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one (CID 95434185) is 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one is O=c1[nH]cc(S(=O)(=O)N2CCNCC2)cc1Cl.
What is the InChIKey of 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one?
The InChIKey is KPGKDESGRYBOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c10-8-5-7(6-12-9(8)14)17(15,16)13-3-1-11-2-4-13/h5-6,11H,1-4H2,(H,12,14).
What are the key properties of 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one?
3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one has a molecular weight of 277.73 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 95434185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).