5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid

C8H6BrF4NO5S — CID 106290683

IUPAC5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)(F)C(F)F)c(Br)o1
InChIInChI=1S/C8H6BrF4NO5S/c9-5-4(1-3(19-5)6(15)16)20(17,18)14-2-8(12,13)7(10)11/h1,7,14H,2H2,(H,15,16)
InChIKeyVAYJHVIQGFSTHZ-UHFFFAOYSA-N
MW384.10 g/mol
LogP1.92
Rot. Bonds6

About 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid (PubChem CID 106290683) has the molecular formula C8H6BrF4NO5S and a molecular weight of 384.10 g/mol. Its IUPAC name is 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
PubChem CID106290683
Molecular FormulaC8H6BrF4NO5S
Molecular Weight384.10 g/mol
Exact Mass382.91
IUPAC Name5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)(F)C(F)F)c(Br)o1
InChIInChI=1S/C8H6BrF4NO5S/c9-5-4(1-3(19-5)6(15)16)20(17,18)14-2-8(12,13)7(10)11/h1,7,14H,2H2,(H,15,16)
InChIKeyVAYJHVIQGFSTHZ-UHFFFAOYSA-N
XLogP1.92
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.10
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234
3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 114169173
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid
CID 65105358
5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 63247995
4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 62829535
5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 79253717
5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid
CID 82707522

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid (CID 106290683) is 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC(F)(F)C(F)F)c(Br)o1.
What is the InChIKey of 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is VAYJHVIQGFSTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF4NO5S/c9-5-4(1-3(19-5)6(15)16)20(17,18)14-2-8(12,13)7(10)11/h1,7,14H,2H2,(H,15,16).
What are the key properties of 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 384.10 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 106290683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).