5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid

C8H8BrF2NO6S — CID 114093090

IUPAC5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(O)C(F)F)c(Br)o1
InChIInChI=1S/C8H8BrF2NO6S/c9-6-5(1-4(18-6)8(14)15)19(16,17)12-2-3(13)7(10)11/h1,3,7,12-13H,2H2,(H,14,15)
InChIKeyUWHRYDVYUWMJQA-UHFFFAOYSA-N
MW364.12 g/mol
LogP0.64
Rot. Bonds6

About 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 114093090) has the molecular formula C8H8BrF2NO6S and a molecular weight of 364.12 g/mol. Its IUPAC name is 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID114093090
Molecular FormulaC8H8BrF2NO6S
Molecular Weight364.12 g/mol
Exact Mass362.92
IUPAC Name5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(O)C(F)F)c(Br)o1
InChIInChI=1S/C8H8BrF2NO6S/c9-6-5(1-4(18-6)8(14)15)19(16,17)12-2-3(13)7(10)11/h1,3,7,12-13H,2H2,(H,14,15)
InChIKeyUWHRYDVYUWMJQA-UHFFFAOYSA-N
XLogP0.64
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.12
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid (CID 114093090) is 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC(O)C(F)F)c(Br)o1.
What is the InChIKey of 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is UWHRYDVYUWMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO6S/c9-6-5(1-4(18-6)8(14)15)19(16,17)12-2-3(13)7(10)11/h1,3,7,12-13H,2H2,(H,14,15).
What are the key properties of 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 364.12 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 114093090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).