5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid

C9H11BrN2O6S — CID 62803988

IUPAC5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C9H11BrN2O6S/c1-12(2)7(13)4-11-19(16,17)6-3-5(9(14)15)18-8(6)10/h3,11H,4H2,1-2H3,(H,14,15)
InChIKeyLNVWIQCBNNOVOO-UHFFFAOYSA-N
MW355.17 g/mol
LogP0.11
Rot. Bonds5

About 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 62803988) has the molecular formula C9H11BrN2O6S and a molecular weight of 355.17 g/mol. Its IUPAC name is 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID62803988
Molecular FormulaC9H11BrN2O6S
Molecular Weight355.17 g/mol
Exact Mass353.95
IUPAC Name5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C9H11BrN2O6S/c1-12(2)7(13)4-11-19(16,17)6-3-5(9(14)15)18-8(6)10/h3,11H,4H2,1-2H3,(H,14,15)
InChIKeyLNVWIQCBNNOVOO-UHFFFAOYSA-N
XLogP0.11
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid
CID 55119589
5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
CID 62805600
5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106394932
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234
5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
CID 106290683
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 63247995
5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid
CID 65105358
4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 62829535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid (CID 62803988) is 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid is CN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is LNVWIQCBNNOVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O6S/c1-12(2)7(13)4-11-19(16,17)6-3-5(9(14)15)18-8(6)10/h3,11H,4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 355.17 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62803988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).