5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid

C11H10BrNO5S2 — CID 60951027

IUPAC5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H10BrNO5S2/c1-13(5-8-4-7(12)6-19-8)20(16,17)10-3-2-9(18-10)11(14)15/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyFKGSYBCLKGDEDJ-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.62
Rot. Bonds5

About 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid

5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 60951027) has the molecular formula C11H10BrNO5S2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
PubChem CID60951027
Molecular FormulaC11H10BrNO5S2
Molecular Weight380.24 g/mol
Exact Mass378.92
IUPAC Name5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H10BrNO5S2/c1-13(5-8-4-7(12)6-19-8)20(16,17)10-3-2-9(18-10)11(14)15/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyFKGSYBCLKGDEDJ-UHFFFAOYSA-N
XLogP2.62
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid (CID 60951027) is 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid is CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is FKGSYBCLKGDEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO5S2/c1-13(5-8-4-7(12)6-19-8)20(16,17)10-3-2-9(18-10)11(14)15/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid?
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 380.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 60951027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).