5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid

C8H6BrN3O5S — CID 55119972

IUPAC5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccn[nH]2)c(Br)o1
InChIInChI=1S/C8H6BrN3O5S/c9-7-5(3-4(17-7)8(13)14)18(15,16)12-6-1-2-10-11-6/h1-3H,(H,13,14)(H2,10,11,12)
InChIKeyZYZIZTLSWBJOMA-UHFFFAOYSA-N
MW336.12 g/mol
LogP1.26
Rot. Bonds4

About 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 55119972) has the molecular formula C8H6BrN3O5S and a molecular weight of 336.12 g/mol. Its IUPAC name is 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID55119972
Molecular FormulaC8H6BrN3O5S
Molecular Weight336.12 g/mol
Exact Mass334.92
IUPAC Name5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccn[nH]2)c(Br)o1
InChIInChI=1S/C8H6BrN3O5S/c9-7-5(3-4(17-7)8(13)14)18(15,16)12-6-1-2-10-11-6/h1-3H,(H,13,14)(H2,10,11,12)
InChIKeyZYZIZTLSWBJOMA-UHFFFAOYSA-N
XLogP1.26
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid (CID 55119972) is 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccn[nH]2)c(Br)o1.
What is the InChIKey of 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is ZYZIZTLSWBJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O5S/c9-7-5(3-4(17-7)8(13)14)18(15,16)12-6-1-2-10-11-6/h1-3H,(H,13,14)(H2,10,11,12).
What are the key properties of 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 336.12 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 55119972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).