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

C7H7ClN2O5S — CID 64606557

IUPAC2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C7H7ClN2O5S/c8-5-1-4(2-9-7(5)13)16(14,15)10-3-6(11)12/h1-2,10H,3H2,(H,9,13)(H,11,12)
InChIKeyXQJMUCQFLZGXLN-UHFFFAOYSA-N
MW266.66 g/mol
LogP-0.61
Rot. Bonds4

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

2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid (PubChem CID 64606557) has the molecular formula C7H7ClN2O5S and a molecular weight of 266.66 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
PubChem CID64606557
Molecular FormulaC7H7ClN2O5S
Molecular Weight266.66 g/mol
Exact Mass265.98
IUPAC Name2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C7H7ClN2O5S/c8-5-1-4(2-9-7(5)13)16(14,15)10-3-6(11)12/h1-2,10H,3H2,(H,9,13)(H,11,12)
InChIKeyXQJMUCQFLZGXLN-UHFFFAOYSA-N
XLogP-0.61
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114327
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid
CID 64608093
5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide
CID 64609049
5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293639
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102700034
5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113450761
5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 83186740
5-chloro-N-(2-hydroxy-3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608871

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid (CID 64606557) is 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid?
The InChIKey is XQJMUCQFLZGXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O5S/c8-5-1-4(2-9-7(5)13)16(14,15)10-3-6(11)12/h1-2,10H,3H2,(H,9,13)(H,11,12).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid?
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid has a molecular weight of 266.66 g/mol, XLogP of -0.61, 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]acetic acid is sourced from PubChem (CID 64606557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).