5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide

C11H13Cl2N3O3S — CID 64669013

IUPAC5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
SMILESCN1CC(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCC1=O
InChIInChI=1S/C11H13Cl2N3O3S/c1-16-6-7(2-3-10(16)17)15-20(18,19)8-4-9(12)11(13)14-5-8/h4-5,7,15H,2-3,6H2,1H3
InChIKeyGJUFVOLCPIVYLM-UHFFFAOYSA-N
MW338.22 g/mol
LogP1.29
Rot. Bonds3

About 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide (PubChem CID 64669013) has the molecular formula C11H13Cl2N3O3S and a molecular weight of 338.22 g/mol. Its IUPAC name is 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
PubChem CID64669013
Molecular FormulaC11H13Cl2N3O3S
Molecular Weight338.22 g/mol
Exact Mass337.01
IUPAC Name5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
SMILESCN1CC(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCC1=O
InChIInChI=1S/C11H13Cl2N3O3S/c1-16-6-7(2-3-10(16)17)15-20(18,19)8-4-9(12)11(13)14-5-8/h4-5,7,15H,2-3,6H2,1H3
InChIKeyGJUFVOLCPIVYLM-UHFFFAOYSA-N
XLogP1.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide (CID 64669013) is 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide is CN1CC(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCC1=O.
What is the InChIKey of 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The InChIKey is GJUFVOLCPIVYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O3S/c1-16-6-7(2-3-10(16)17)15-20(18,19)8-4-9(12)11(13)14-5-8/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide has a molecular weight of 338.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64669013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).