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

C13H19ClN2O3S — CID 64609062

IUPAC3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1CCCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O3S/c1-2-10-4-3-6-16(7-5-10)20(18,19)11-8-12(14)13(17)15-9-11/h8-10H,2-7H2,1H3,(H,15,17)
InChIKeyVQFLOGXDDDRUAC-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.23
Rot. Bonds3

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

3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 64609062) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID64609062
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1CCCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O3S/c1-2-10-4-3-6-16(7-5-10)20(18,19)11-8-12(14)13(17)15-9-11/h8-10H,2-7H2,1H3,(H,15,17)
InChIKeyVQFLOGXDDDRUAC-UHFFFAOYSA-N
XLogP2.23
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608867
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
3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 64608278
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-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339
3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64608490
3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607306
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607902
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
CID 115329743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one (CID 64609062) is 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one is CCC1CCCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is VQFLOGXDDDRUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-2-10-4-3-6-16(7-5-10)20(18,19)11-8-12(14)13(17)15-9-11/h8-10H,2-7H2,1H3,(H,15,17).
What are the key properties of 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one?
3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 318.83 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64609062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).