2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid

C8H9ClN2O5S — CID 64608093

IUPAC2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1)C(=O)O
InChIInChI=1S/C8H9ClN2O5S/c1-4(8(13)14)11-17(15,16)5-2-6(9)7(12)10-3-5/h2-4,11H,1H3,(H,10,12)(H,13,14)
InChIKeyHEZJZTCZUXLOKU-UHFFFAOYSA-N
MW280.69 g/mol
LogP-0.22
Rot. Bonds4

About 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid

2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid (PubChem CID 64608093) has the molecular formula C8H9ClN2O5S and a molecular weight of 280.69 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid
PubChem CID64608093
Molecular FormulaC8H9ClN2O5S
Molecular Weight280.69 g/mol
Exact Mass279.99
IUPAC Name2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1)C(=O)O
InChIInChI=1S/C8H9ClN2O5S/c1-4(8(13)14)11-17(15,16)5-2-6(9)7(12)10-3-5/h2-4,11H,1H3,(H,10,12)(H,13,14)
InChIKeyHEZJZTCZUXLOKU-UHFFFAOYSA-N
XLogP-0.22
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 83186740
methyl (2S)-2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-3-methylbutanoate
CID 64607131
5-chloro-N-(1-cyclopropylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607914
5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide
CID 113478107
5-chloro-N-(1-methylsulfinylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113486689
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557
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
5-chloro-N-(1-ethoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608286
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588
5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64609039
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid (CID 64608093) is 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid?
The InChIKey is HEZJZTCZUXLOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O5S/c1-4(8(13)14)11-17(15,16)5-2-6(9)7(12)10-3-5/h2-4,11H,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid?
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid has a molecular weight of 280.69 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 64608093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).