5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid

C9H10BrF2NO6S — CID 103091330

IUPAC5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCOCC(F)F)c(Br)o1
InChIInChI=1S/C9H10BrF2NO6S/c10-8-6(3-5(19-8)9(14)15)20(16,17)13-1-2-18-4-7(11)12/h3,7,13H,1-2,4H2,(H,14,15)
InChIKeyBCFAVEITQZSYLS-UHFFFAOYSA-N
MW378.15 g/mol
LogP1.30
Rot. Bonds8

About 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid

5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 103091330) has the molecular formula C9H10BrF2NO6S and a molecular weight of 378.15 g/mol. Its IUPAC name is 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID103091330
Molecular FormulaC9H10BrF2NO6S
Molecular Weight378.15 g/mol
Exact Mass376.94
IUPAC Name5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCOCC(F)F)c(Br)o1
InChIInChI=1S/C9H10BrF2NO6S/c10-8-6(3-5(19-8)9(14)15)20(16,17)13-1-2-18-4-7(11)12/h3,7,13H,1-2,4H2,(H,14,15)
InChIKeyBCFAVEITQZSYLS-UHFFFAOYSA-N
XLogP1.30
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.15
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid (CID 103091330) is 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCOCC(F)F)c(Br)o1.
What is the InChIKey of 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is BCFAVEITQZSYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO6S/c10-8-6(3-5(19-8)9(14)15)20(16,17)13-1-2-18-4-7(11)12/h3,7,13H,1-2,4H2,(H,14,15).
What are the key properties of 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 378.15 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 103091330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).