4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid

C9H11BrN2O6S — CID 62829535

IUPAC4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
SMILESCC(C)(NS(=O)(=O)c1cc(C(=O)O)oc1Br)C(N)=O
InChIInChI=1S/C9H11BrN2O6S/c1-9(2,8(11)15)12-19(16,17)5-3-4(7(13)14)18-6(5)10/h3,12H,1-2H3,(H2,11,15)(H,13,14)
InChIKeyCDRVGPLCVDBBPW-UHFFFAOYSA-N
MW355.17 g/mol
LogP0.28
Rot. Bonds5

About 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid

4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid (PubChem CID 62829535) has the molecular formula C9H11BrN2O6S and a molecular weight of 355.17 g/mol. Its IUPAC name is 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
PubChem CID62829535
Molecular FormulaC9H11BrN2O6S
Molecular Weight355.17 g/mol
Exact Mass353.95
IUPAC Name4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
SMILESCC(C)(NS(=O)(=O)c1cc(C(=O)O)oc1Br)C(N)=O
InChIInChI=1S/C9H11BrN2O6S/c1-9(2,8(11)15)12-19(16,17)5-3-4(7(13)14)18-6(5)10/h3,12H,1-2H3,(H2,11,15)(H,13,14)
InChIKeyCDRVGPLCVDBBPW-UHFFFAOYSA-N
XLogP0.28
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid
CID 82707522
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
CID 62829884
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
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
CID 62805600
5-bromo-4-(1-ethoxypropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62829182
5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 79253717
5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62828655
5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62804321

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid?
The IUPAC name of 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid (CID 62829535) is 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid.
What is the SMILES notation for 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid?
The canonical SMILES for 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid is CC(C)(NS(=O)(=O)c1cc(C(=O)O)oc1Br)C(N)=O.
What is the InChIKey of 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid?
The InChIKey is CDRVGPLCVDBBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O6S/c1-9(2,8(11)15)12-19(16,17)5-3-4(7(13)14)18-6(5)10/h3,12H,1-2H3,(H2,11,15)(H,13,14).
What are the key properties of 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid?
4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid has a molecular weight of 355.17 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid is sourced from PubChem (CID 62829535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).