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

C12H18BrNO5S — CID 62828655

IUPAC5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESCC(C)CCC(C)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C12H18BrNO5S/c1-7(2)4-5-8(3)14-20(17,18)10-6-9(12(15)16)19-11(10)13/h6-8,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyJVEVXOHFZJLHQL-UHFFFAOYSA-N
MW368.25 g/mol
LogP2.84
Rot. Bonds7

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

5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62828655) has the molecular formula C12H18BrNO5S and a molecular weight of 368.25 g/mol. Its IUPAC name is 5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID62828655
Molecular FormulaC12H18BrNO5S
Molecular Weight368.25 g/mol
Exact Mass367.01
IUPAC Name5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESCC(C)CCC(C)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C12H18BrNO5S/c1-7(2)4-5-8(3)14-20(17,18)10-6-9(12(15)16)19-11(10)13/h6-8,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyJVEVXOHFZJLHQL-UHFFFAOYSA-N
XLogP2.84
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
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
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-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid
CID 82707522
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
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
5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid
CID 166392198
5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62829523
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid (CID 62828655) is 5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid is CC(C)CCC(C)NS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is JVEVXOHFZJLHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO5S/c1-7(2)4-5-8(3)14-20(17,18)10-6-9(12(15)16)19-11(10)13/h6-8,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 368.25 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62828655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).