3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid

C11H9N3O5S — CID 116786477

IUPAC3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C11H9N3O5S/c15-10-5-4-9(12-13-10)14-20(18,19)8-3-1-2-7(6-8)11(16)17/h1-6H,(H,12,14)(H,13,15)(H,16,17)
InChIKeyDDQHBLPSXFHIHT-UHFFFAOYSA-N
MW295.28 g/mol
LogP0.27
Rot. Bonds4

About 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid

3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid (PubChem CID 116786477) has the molecular formula C11H9N3O5S and a molecular weight of 295.28 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
PubChem CID116786477
Molecular FormulaC11H9N3O5S
Molecular Weight295.28 g/mol
Exact Mass295.03
IUPAC Name3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C11H9N3O5S/c15-10-5-4-9(12-13-10)14-20(18,19)8-3-1-2-7(6-8)11(16)17/h1-6H,(H,12,14)(H,13,15)(H,16,17)
InChIKeyDDQHBLPSXFHIHT-UHFFFAOYSA-N
XLogP0.27
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050
3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid
CID 71521390
3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 62353939
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786577
3-(hydroxysulfamoyl)benzoic acid
CID 10727486
3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527883
3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617664
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
2-methyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106920403
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
5-chloro-6-hydrazinyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
CID 116787309

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid (CID 116786477) is 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c1.
What is the InChIKey of 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid?
The InChIKey is DDQHBLPSXFHIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S/c15-10-5-4-9(12-13-10)14-20(18,19)8-3-1-2-7(6-8)11(16)17/h1-6H,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid?
3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid has a molecular weight of 295.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 116786477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).