5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid

C12H9BrFNO5S — CID 61298881

IUPAC5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2cc(Br)ccc2F)o1
InChIInChI=1S/C12H9BrFNO5S/c13-8-1-2-9(14)7(5-8)6-15-21(18,19)11-4-3-10(20-11)12(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyVLDFVHDSWUMCLS-UHFFFAOYSA-N
MW378.18 g/mol
LogP2.36
Rot. Bonds5

About 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid

5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 61298881) has the molecular formula C12H9BrFNO5S and a molecular weight of 378.18 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID61298881
Molecular FormulaC12H9BrFNO5S
Molecular Weight378.18 g/mol
Exact Mass376.94
IUPAC Name5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2cc(Br)ccc2F)o1
InChIInChI=1S/C12H9BrFNO5S/c13-8-1-2-9(14)7(5-8)6-15-21(18,19)11-4-3-10(20-11)12(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyVLDFVHDSWUMCLS-UHFFFAOYSA-N
XLogP2.36
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62539404
5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 43361993
5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775672
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
4-[(5-bromo-2-fluorophenyl)methylsulfamoyl]butanoic acid
CID 61299271
1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
CID 114808753
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 47185676
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116816016

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid (CID 61298881) is 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2cc(Br)ccc2F)o1.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is VLDFVHDSWUMCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO5S/c13-8-1-2-9(14)7(5-8)6-15-21(18,19)11-4-3-10(20-11)12(16)17/h1-5,15H,6H2,(H,16,17).
What are the key properties of 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid?
5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 378.18 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 61298881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).