5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid

C11H8Br2N2O5S — CID 83165262

IUPAC5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C11H8Br2N2O5S/c1-5-2-6(12)4-14-10(5)15-21(18,19)8-3-7(11(16)17)20-9(8)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyOFJNAJFNMGXKJE-UHFFFAOYSA-N
MW440.07 g/mol
LogP3.01
Rot. Bonds4

About 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 83165262) has the molecular formula C11H8Br2N2O5S and a molecular weight of 440.07 g/mol. Its IUPAC name is 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID83165262
Molecular FormulaC11H8Br2N2O5S
Molecular Weight440.07 g/mol
Exact Mass437.85
IUPAC Name5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C11H8Br2N2O5S/c1-5-2-6(12)4-14-10(5)15-21(18,19)8-3-7(11(16)17)20-9(8)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyOFJNAJFNMGXKJE-UHFFFAOYSA-N
XLogP3.01
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.07
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803639
5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62804321
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 81421965
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 83166077
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106076839
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid (CID 83165262) is 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid is Cc1cc(Br)cnc1NS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is OFJNAJFNMGXKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O5S/c1-5-2-6(12)4-14-10(5)15-21(18,19)8-3-7(11(16)17)20-9(8)13/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 440.07 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 83165262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).