5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

C9H8BrN3O5S — CID 55119874

IUPAC5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCn1ccc(NS(=O)(=O)c2cc(C(=O)O)oc2Br)n1
InChIInChI=1S/C9H8BrN3O5S/c1-13-3-2-7(11-13)12-19(16,17)6-4-5(9(14)15)18-8(6)10/h2-4H,1H3,(H,11,12)(H,14,15)
InChIKeyXLRDEORUJLSYSM-UHFFFAOYSA-N
MW350.15 g/mol
LogP1.27
Rot. Bonds4

About 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 55119874) has the molecular formula C9H8BrN3O5S and a molecular weight of 350.15 g/mol. Its IUPAC name is 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID55119874
Molecular FormulaC9H8BrN3O5S
Molecular Weight350.15 g/mol
Exact Mass348.94
IUPAC Name5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCn1ccc(NS(=O)(=O)c2cc(C(=O)O)oc2Br)n1
InChIInChI=1S/C9H8BrN3O5S/c1-13-3-2-7(11-13)12-19(16,17)6-4-5(9(14)15)18-8(6)10/h2-4H,1H3,(H,11,12)(H,14,15)
InChIKeyXLRDEORUJLSYSM-UHFFFAOYSA-N
XLogP1.27
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 55119874) is 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is Cn1ccc(NS(=O)(=O)c2cc(C(=O)O)oc2Br)n1.
What is the InChIKey of 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is XLRDEORUJLSYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O5S/c1-13-3-2-7(11-13)12-19(16,17)6-4-5(9(14)15)18-8(6)10/h2-4H,1H3,(H,11,12)(H,14,15).
What are the key properties of 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 350.15 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 55119874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).