5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid

C9H10BrF2NO6S — CID 107479013

IUPAC5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N(CCO)CC(F)F)c(Br)o1
InChIInChI=1S/C9H10BrF2NO6S/c10-8-6(3-5(19-8)9(15)16)20(17,18)13(1-2-14)4-7(11)12/h3,7,14H,1-2,4H2,(H,15,16)
InChIKeyBQACMIBLIZUBDA-UHFFFAOYSA-N
MW378.15 g/mol
LogP0.99
Rot. Bonds7

About 5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 107479013) has the molecular formula C9H10BrF2NO6S and a molecular weight of 378.15 g/mol. Its IUPAC name is 5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID107479013
Molecular FormulaC9H10BrF2NO6S
Molecular Weight378.15 g/mol
Exact Mass376.94
IUPAC Name5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N(CCO)CC(F)F)c(Br)o1
InChIInChI=1S/C9H10BrF2NO6S/c10-8-6(3-5(19-8)9(15)16)20(17,18)13(1-2-14)4-7(11)12/h3,7,14H,1-2,4H2,(H,15,16)
InChIKeyBQACMIBLIZUBDA-UHFFFAOYSA-N
XLogP0.99
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.15
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 107479033
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
CID 62805600
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 107478999
5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 62831095
5-bromo-4-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62830573
5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid
CID 62803983
4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477991
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 107485920
5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107483631
N-(2,2-difluoroethyl)-2-fluoro-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 107483565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid (CID 107479013) is 5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N(CCO)CC(F)F)c(Br)o1.
What is the InChIKey of 5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is BQACMIBLIZUBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO6S/c10-8-6(3-5(19-8)9(15)16)20(17,18)13(1-2-14)4-7(11)12/h3,7,14H,1-2,4H2,(H,15,16).
What are the key properties of 5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 378.15 g/mol, XLogP of 0.99, 7 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-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 107479013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).