5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid

C10H8BrN3O4S2 — CID 106831690

IUPAC5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2cccnn2)c(Br)s1
InChIInChI=1S/C10H8BrN3O4S2/c11-9-8(4-7(19-9)10(15)16)20(17,18)13-5-6-2-1-3-12-14-6/h1-4,13H,5H2,(H,15,16)
InChIKeyQEWWLOYDEZCLKR-UHFFFAOYSA-N
MW378.23 g/mol
LogP1.48
Rot. Bonds5

About 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid

5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 106831690) has the molecular formula C10H8BrN3O4S2 and a molecular weight of 378.23 g/mol. Its IUPAC name is 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID106831690
Molecular FormulaC10H8BrN3O4S2
Molecular Weight378.23 g/mol
Exact Mass376.91
IUPAC Name5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2cccnn2)c(Br)s1
InChIInChI=1S/C10H8BrN3O4S2/c11-9-8(4-7(19-9)10(15)16)20(17,18)13-5-6-2-1-3-12-14-6/h1-4,13H,5H2,(H,15,16)
InChIKeyQEWWLOYDEZCLKR-UHFFFAOYSA-N
XLogP1.48
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
CID 106833688
5-bromo-4-[(5-bromothiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61012975
5-bromo-4-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 43362608
5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106415067
2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833668
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362570
5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894675
5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid
CID 167946559
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid (CID 106831690) is 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCc2cccnn2)c(Br)s1.
What is the InChIKey of 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is QEWWLOYDEZCLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O4S2/c11-9-8(4-7(19-9)10(15)16)20(17,18)13-5-6-2-1-3-12-14-6/h1-4,13H,5H2,(H,15,16).
What are the key properties of 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 378.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 106831690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).