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

C12H9BrFNO5S — CID 71867044

IUPAC4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)cc(Br)c1
InChIInChI=1S/C12H9BrFNO5S/c1-6-11(5-10(20-6)12(16)17)21(18,19)15-9-3-7(13)2-8(14)4-9/h2-5,15H,1H3,(H,16,17)
InChIKeyAHKUZOFYNFKEEL-UHFFFAOYSA-N
MW378.18 g/mol
LogP2.99
Rot. Bonds4

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

4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 71867044) has the molecular formula C12H9BrFNO5S and a molecular weight of 378.18 g/mol. Its IUPAC name is 4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID71867044
Molecular FormulaC12H9BrFNO5S
Molecular Weight378.18 g/mol
Exact Mass376.94
IUPAC Name4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)cc(Br)c1
InChIInChI=1S/C12H9BrFNO5S/c1-6-11(5-10(20-6)12(16)17)21(18,19)15-9-3-7(13)2-8(14)4-9/h2-5,15H,1H3,(H,16,17)
InChIKeyAHKUZOFYNFKEEL-UHFFFAOYSA-N
XLogP2.99
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803058
4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805754
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103477725
4-[(3-ethynylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804129
5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62902663
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 104617678
5-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714939
5-methyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803253

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 71867044) is 4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)cc(Br)c1.
What is the InChIKey of 4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is AHKUZOFYNFKEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO5S/c1-6-11(5-10(20-6)12(16)17)21(18,19)15-9-3-7(13)2-8(14)4-9/h2-5,15H,1H3,(H,16,17).
What are the key properties of 4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 378.18 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 71867044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).