5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C13H20ClN3O3S — CID 64607902

IUPAC5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C13H20ClN3O3S/c1-2-17-5-3-10(4-6-17)8-16-21(19,20)11-7-12(14)13(18)15-9-11/h7,9-10,16H,2-6,8H2,1H3,(H,15,18)
InChIKeyXOLYZDZQTBWIGW-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.04
Rot. Bonds5

About 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64607902) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64607902
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C13H20ClN3O3S/c1-2-17-5-3-10(4-6-17)8-16-21(19,20)11-7-12(14)13(18)15-9-11/h7,9-10,16H,2-6,8H2,1H3,(H,15,18)
InChIKeyXOLYZDZQTBWIGW-UHFFFAOYSA-N
XLogP1.04
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64608260
5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide
CID 64607317
5-chloro-N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106137444
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 60857487
3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64609062
6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64602628
5-chloro-N-(1-cyclopropylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607914
N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157065
3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608428
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102700034
5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113450761
3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607507

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 64607902) is 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is CCN1CCC(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is XOLYZDZQTBWIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-2-17-5-3-10(4-6-17)8-16-21(19,20)11-7-12(14)13(18)15-9-11/h7,9-10,16H,2-6,8H2,1H3,(H,15,18).
What are the key properties of 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 333.84 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).