4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid

C10H9N3O5S2 — CID 102749443

IUPAC4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H9N3O5S2/c1-5-4-19-8(10(15)16)9(5)20(17,18)13-6-2-3-7(14)12-11-6/h2-4H,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyLYQXMOMSRMKSQD-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.64
Rot. Bonds4

About 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102749443) has the molecular formula C10H9N3O5S2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID102749443
Molecular FormulaC10H9N3O5S2
Molecular Weight315.33 g/mol
Exact Mass315.00
IUPAC Name4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H9N3O5S2/c1-5-4-19-8(10(15)16)9(5)20(17,18)13-6-2-3-7(14)12-11-6/h2-4H,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyLYQXMOMSRMKSQD-UHFFFAOYSA-N
XLogP0.64
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748976
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747775
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747563
3-amino-2,5,6-trimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106505457
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107584635
3-[(2-bromo-3-methylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749098
4-methyl-3-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748428
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 102749443) is 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is LYQXMOMSRMKSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5S2/c1-5-4-19-8(10(15)16)9(5)20(17,18)13-6-2-3-7(14)12-11-6/h2-4H,1H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102749443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).