3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one

C12H18ClN3O3S — CID 64608428

IUPAC3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCCN1CCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-2-3-15-4-6-16(7-5-15)20(18,19)10-8-11(13)12(17)14-9-10/h8-9H,2-7H2,1H3,(H,14,17)
InChIKeyWVFXIWNMVPZAGC-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.74
Rot. Bonds4

About 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one

3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 64608428) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID64608428
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCCN1CCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-2-3-15-4-6-16(7-5-15)20(18,19)10-8-11(13)12(17)14-9-10/h8-9H,2-7H2,1H3,(H,14,17)
InChIKeyWVFXIWNMVPZAGC-UHFFFAOYSA-N
XLogP0.74
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.74
H-Bond Donors ≤ 51
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-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185
3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64609062
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-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607116
3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607507
methyl 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxylate
CID 64607854
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607902
3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607306
3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
CID 114490490
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one (CID 64608428) is 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one is CCCN1CCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is WVFXIWNMVPZAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-2-3-15-4-6-16(7-5-15)20(18,19)10-8-11(13)12(17)14-9-10/h8-9H,2-7H2,1H3,(H,14,17).
What are the key properties of 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 319.81 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64608428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).