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

C11H7BrFNO5S — CID 104775672

IUPAC5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)o1
InChIInChI=1S/C11H7BrFNO5S/c12-7-5-6(1-2-8(7)13)14-20(17,18)10-4-3-9(19-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyQTGPRBCNLSXCLL-UHFFFAOYSA-N
MW364.15 g/mol
LogP2.68
Rot. Bonds4

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

5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 104775672) has the molecular formula C11H7BrFNO5S and a molecular weight of 364.15 g/mol. Its IUPAC name is 5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID104775672
Molecular FormulaC11H7BrFNO5S
Molecular Weight364.15 g/mol
Exact Mass362.92
IUPAC Name5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)o1
InChIInChI=1S/C11H7BrFNO5S/c12-7-5-6(1-2-8(7)13)14-20(17,18)10-4-3-9(19-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyQTGPRBCNLSXCLL-UHFFFAOYSA-N
XLogP2.68
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 62811091
5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid
CID 114837506
5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775676
N-(3-bromo-4-fluorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106078334
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 29077337
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 61298881
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 107624822

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid (CID 104775672) is 5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)o1.
What is the InChIKey of 5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is QTGPRBCNLSXCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO5S/c12-7-5-6(1-2-8(7)13)14-20(17,18)10-4-3-9(19-10)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid?
5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 364.15 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104775672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).