5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid

C10H12BrNO6S — CID 82725833

IUPAC5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1OCCC1NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H12BrNO6S/c1-5-6(2-3-17-5)12-19(15,16)8-4-7(10(13)14)18-9(8)11/h4-6,12H,2-3H2,1H3,(H,13,14)
InChIKeyPBLKYBKNKJKSHJ-UHFFFAOYSA-N
MW354.18 g/mol
LogP1.20
Rot. Bonds4

About 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 82725833) has the molecular formula C10H12BrNO6S and a molecular weight of 354.18 g/mol. Its IUPAC name is 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID82725833
Molecular FormulaC10H12BrNO6S
Molecular Weight354.18 g/mol
Exact Mass352.96
IUPAC Name5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1OCCC1NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H12BrNO6S/c1-5-6(2-3-17-5)12-19(15,16)8-4-7(10(13)14)18-9(8)11/h4-6,12H,2-3H2,1H3,(H,13,14)
InChIKeyPBLKYBKNKJKSHJ-UHFFFAOYSA-N
XLogP1.20
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 63995282
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
CID 62829884
5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714938
4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
CID 82726035
5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 104655236
2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106076177
5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62829523
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 82725833) is 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid is CC1OCCC1NS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is PBLKYBKNKJKSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO6S/c1-5-6(2-3-17-5)12-19(15,16)8-4-7(10(13)14)18-9(8)11/h4-6,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 354.18 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 82725833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).