5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid

C9H12BrNO6S — CID 82707522

IUPAC5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid
SMILESCC(C)CONS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C9H12BrNO6S/c1-5(2)4-16-11-18(14,15)7-3-6(9(12)13)17-8(7)10/h3,5,11H,4H2,1-2H3,(H,12,13)
InChIKeyCUWCGENCFZDYFX-UHFFFAOYSA-N
MW342.17 g/mol
LogP1.61
Rot. Bonds6

About 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid

5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid (PubChem CID 82707522) has the molecular formula C9H12BrNO6S and a molecular weight of 342.17 g/mol. Its IUPAC name is 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid
PubChem CID82707522
Molecular FormulaC9H12BrNO6S
Molecular Weight342.17 g/mol
Exact Mass340.96
IUPAC Name5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid
SMILESCC(C)CONS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C9H12BrNO6S/c1-5(2)4-16-11-18(14,15)7-3-6(9(12)13)17-8(7)10/h3,5,11H,4H2,1-2H3,(H,12,13)
InChIKeyCUWCGENCFZDYFX-UHFFFAOYSA-N
XLogP1.61
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62828655
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
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-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
5-bromo-4-(pent-4-yn-2-ylsulfamoyl)furan-2-carboxylic acid
CID 113477046
2,4-dimethyl-5-(2-methylpropoxysulfamoyl)benzoic acid
CID 82706185
4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 62829535
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid (CID 82707522) is 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid is CC(C)CONS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid?
The InChIKey is CUWCGENCFZDYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO6S/c1-5(2)4-16-11-18(14,15)7-3-6(9(12)13)17-8(7)10/h3,5,11H,4H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid has a molecular weight of 342.17 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 82707522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).