4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid

C15H12BrN3O5S — CID 167971932

IUPAC4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Br)o1
InChIInChI=1S/C15H12BrN3O5S/c16-14-13(6-12(24-14)15(20)21)25(22,23)18-11-7-17-19(9-11)8-10-4-2-1-3-5-10/h1-7,9,18H,8H2,(H,20,21)
InChIKeyKOHZRWFLZFTORD-UHFFFAOYSA-N
MW426.25 g/mol
LogP2.79
Rot. Bonds6

About 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid

4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid (PubChem CID 167971932) has the molecular formula C15H12BrN3O5S and a molecular weight of 426.25 g/mol. Its IUPAC name is 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
PubChem CID167971932
Molecular FormulaC15H12BrN3O5S
Molecular Weight426.25 g/mol
Exact Mass424.97
IUPAC Name4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Br)o1
InChIInChI=1S/C15H12BrN3O5S/c16-14-13(6-12(24-14)15(20)21)25(22,23)18-11-7-17-19(9-11)8-10-4-2-1-3-5-10/h1-7,9,18H,8H2,(H,20,21)
InChIKeyKOHZRWFLZFTORD-UHFFFAOYSA-N
XLogP2.79
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
CID 83092889
methyl 5-[(1-benzylpyrazol-4-yl)sulfamoyl]-2-bromobenzoate
CID 60549403
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024
2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018649
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775676
5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803639
5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62902663

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid?
The IUPAC name of 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid (CID 167971932) is 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid.
What is the SMILES notation for 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid?
The canonical SMILES for 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Br)o1.
What is the InChIKey of 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid?
The InChIKey is KOHZRWFLZFTORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O5S/c16-14-13(6-12(24-14)15(20)21)25(22,23)18-11-7-17-19(9-11)8-10-4-2-1-3-5-10/h1-7,9,18H,8H2,(H,20,21).
What are the key properties of 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid?
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid has a molecular weight of 426.25 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid is sourced from PubChem (CID 167971932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).