5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid

C11H6Br2ClNO5S — CID 81260387

IUPAC5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c(Br)o1
InChIInChI=1S/C11H6Br2ClNO5S/c12-6-3-5(14)1-2-7(6)15-21(18,19)9-4-8(11(16)17)20-10(9)13/h1-4,15H,(H,16,17)
InChIKeyDHDDKZHKLUZDKP-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.96
Rot. Bonds4

About 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 81260387) has the molecular formula C11H6Br2ClNO5S and a molecular weight of 459.50 g/mol. Its IUPAC name is 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID81260387
Molecular FormulaC11H6Br2ClNO5S
Molecular Weight459.50 g/mol
Exact Mass456.80
IUPAC Name5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c(Br)o1
InChIInChI=1S/C11H6Br2ClNO5S/c12-6-3-5(14)1-2-7(6)15-21(18,19)9-4-8(11(16)17)20-10(9)13/h1-4,15H,(H,16,17)
InChIKeyDHDDKZHKLUZDKP-UHFFFAOYSA-N
XLogP3.96
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775676
5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid
CID 79758173
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 81260465
5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803639
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid
CID 81270530
5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 81252515
5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62804321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid (CID 81260387) is 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c(Br)o1.
What is the InChIKey of 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is DHDDKZHKLUZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClNO5S/c12-6-3-5(14)1-2-7(6)15-21(18,19)9-4-8(11(16)17)20-10(9)13/h1-4,15H,(H,16,17).
What are the key properties of 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 459.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 81260387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).