5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid

C10H14BrNO6S — CID 64604213

IUPAC5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESCOCCC(C)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H14BrNO6S/c1-6(3-4-17-2)12-19(15,16)8-5-7(10(13)14)18-9(8)11/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyRUDUZYHGPRJHOT-UHFFFAOYSA-N
MW356.19 g/mol
LogP1.44
Rot. Bonds7

About 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 64604213) has the molecular formula C10H14BrNO6S and a molecular weight of 356.19 g/mol. Its IUPAC name is 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID64604213
Molecular FormulaC10H14BrNO6S
Molecular Weight356.19 g/mol
Exact Mass354.97
IUPAC Name5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESCOCCC(C)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H14BrNO6S/c1-6(3-4-17-2)12-19(15,16)8-5-7(10(13)14)18-9(8)11/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyRUDUZYHGPRJHOT-UHFFFAOYSA-N
XLogP1.44
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62828655
5-bromo-4-(pent-4-yn-2-ylsulfamoyl)furan-2-carboxylic acid
CID 113477046
5-bromo-4-(1-ethoxypropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62829182
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 79253717
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
5-bromo-2-fluoro-3-(4-methoxybutan-2-ylsulfamoyl)benzoic acid
CID 64604819
5-(4-methoxybutan-2-ylsulfamoyl)-2,4-dimethylbenzoic acid
CID 64604818
5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid
CID 82707522
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 83177359

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid (CID 64604213) is 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid is COCCC(C)NS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is RUDUZYHGPRJHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO6S/c1-6(3-4-17-2)12-19(15,16)8-5-7(10(13)14)18-9(8)11/h5-6,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 356.19 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 64604213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).