5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide

C12H12ClN3O3S — CID 64609007

IUPAC5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCCc2ccccn2)cc1Cl
InChIInChI=1S/C12H12ClN3O3S/c13-11-7-10(8-15-12(11)17)20(18,19)16-6-4-9-3-1-2-5-14-9/h1-3,5,7-8,16H,4,6H2,(H,15,17)
InChIKeySDQDKFLGZRNQSD-UHFFFAOYSA-N
MW313.77 g/mol
LogP0.94
Rot. Bonds5

About 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide

5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide (PubChem CID 64609007) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
PubChem CID64609007
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCCc2ccccn2)cc1Cl
InChIInChI=1S/C12H12ClN3O3S/c13-11-7-10(8-15-12(11)17)20(18,19)16-6-4-9-3-1-2-5-14-9/h1-3,5,7-8,16H,4,6H2,(H,15,17)
InChIKeySDQDKFLGZRNQSD-UHFFFAOYSA-N
XLogP0.94
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-sulfonamide
CID 64608644
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 64607542
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
4-chloro-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 4878966
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
2,5-dichloro-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 4657628
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide
CID 64609049
N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
CID 64608272

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide (CID 64609007) is 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide is O=c1[nH]cc(S(=O)(=O)NCCc2ccccn2)cc1Cl.
What is the InChIKey of 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is SDQDKFLGZRNQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c13-11-7-10(8-15-12(11)17)20(18,19)16-6-4-9-3-1-2-5-14-9/h1-3,5,7-8,16H,4,6H2,(H,15,17).
What are the key properties of 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide?
5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 313.77 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64609007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).