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

C9H13ClN2O4S — CID 102700034

IUPAC5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C9H13ClN2O4S/c1-6(16-2)4-12-17(14,15)7-3-8(10)9(13)11-5-7/h3,5-6,12H,4H2,1-2H3,(H,11,13)
InChIKeyNJLKAAFXRUGQNN-UHFFFAOYSA-N
MW280.73 g/mol
LogP0.34
Rot. Bonds5

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

5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 102700034) has the molecular formula C9H13ClN2O4S and a molecular weight of 280.73 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID102700034
Molecular FormulaC9H13ClN2O4S
Molecular Weight280.73 g/mol
Exact Mass280.03
IUPAC Name5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C9H13ClN2O4S/c1-6(16-2)4-12-17(14,15)7-3-8(10)9(13)11-5-7/h3,5-6,12H,4H2,1-2H3,(H,11,13)
InChIKeyNJLKAAFXRUGQNN-UHFFFAOYSA-N
XLogP0.34
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606568
5-chloro-N-(2-hydroxy-3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608871
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588
5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113450761
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-methylacetamide
CID 64607870
N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
CID 64608272
methyl (2S)-2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-3-methylbutanoate
CID 64607131
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557
5-chloro-N-(1-ethoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608286
3-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697592
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 83186740

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 102700034) is 5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is COC(C)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is NJLKAAFXRUGQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O4S/c1-6(16-2)4-12-17(14,15)7-3-8(10)9(13)11-5-7/h3,5-6,12H,4H2,1-2H3,(H,11,13).
What are the key properties of 5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 280.73 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 102700034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).