5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide

C11H13ClN4O3S — CID 104619451

IUPAC5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)n[nH]1
InChIInChI=1S/C11H13ClN4O3S/c1-2-3-7-4-10(15-14-7)16-20(18,19)8-5-9(12)11(17)13-6-8/h4-6H,2-3H2,1H3,(H,13,17)(H2,14,15,16)
InChIKeyFQGINFFLBNDRIW-UHFFFAOYSA-N
MW316.77 g/mol
LogP1.50
Rot. Bonds5

About 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide

5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide (PubChem CID 104619451) has the molecular formula C11H13ClN4O3S and a molecular weight of 316.77 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
PubChem CID104619451
Molecular FormulaC11H13ClN4O3S
Molecular Weight316.77 g/mol
Exact Mass316.04
IUPAC Name5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)n[nH]1
InChIInChI=1S/C11H13ClN4O3S/c1-2-3-7-4-10(15-14-7)16-20(18,19)8-5-9(12)11(17)13-6-8/h4-6H,2-3H2,1H3,(H,13,17)(H2,14,15,16)
InChIKeyFQGINFFLBNDRIW-UHFFFAOYSA-N
XLogP1.50
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619447
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 112699565
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 104620727
6-amino-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 104616839
N-(methylsulfamoyl)-5-propyl-1H-pyrazol-3-amine
CID 114810260
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 115698308
3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616817
5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606531
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616725
N-(5-propyl-1H-pyrazol-3-yl)propane-2-sulfonamide
CID 115698347

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide (CID 104619451) is 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide is CCCc1cc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)n[nH]1.
What is the InChIKey of 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide?
The InChIKey is FQGINFFLBNDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3S/c1-2-3-7-4-10(15-14-7)16-20(18,19)8-5-9(12)11(17)13-6-8/h4-6H,2-3H2,1H3,(H,13,17)(H2,14,15,16).
What are the key properties of 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide?
5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide has a molecular weight of 316.77 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 104619451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).