5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid

C10H14BrNO6S — CID 55119589

IUPAC5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid
SMILESCCOCCCNS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H14BrNO6S/c1-2-17-5-3-4-12-19(15,16)8-6-7(10(13)14)18-9(8)11/h6,12H,2-5H2,1H3,(H,13,14)
InChIKeyUUBNOQQXRLVGNQ-UHFFFAOYSA-N
MW356.19 g/mol
LogP1.45
Rot. Bonds8

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

5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid (PubChem CID 55119589) has the molecular formula C10H14BrNO6S and a molecular weight of 356.19 g/mol. Its IUPAC name is 5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid
PubChem CID55119589
Molecular FormulaC10H14BrNO6S
Molecular Weight356.19 g/mol
Exact Mass354.97
IUPAC Name5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid
SMILESCCOCCCNS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H14BrNO6S/c1-2-17-5-3-4-12-19(15,16)8-6-7(10(13)14)18-9(8)11/h6,12H,2-5H2,1H3,(H,13,14)
InChIKeyUUBNOQQXRLVGNQ-UHFFFAOYSA-N
XLogP1.45
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 51.45
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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Related Compounds

4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
5-bromo-4-(1-ethoxypropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62829182
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-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805420
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid
CID 82707522
5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid (CID 55119589) is 5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid is CCOCCCNS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is UUBNOQQXRLVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO6S/c1-2-17-5-3-4-12-19(15,16)8-6-7(10(13)14)18-9(8)11/h6,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 356.19 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 55119589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).