4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid

C11H10BrNO5S2 — CID 61073791

IUPAC4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccc(Br)o1)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H10BrNO5S2/c1-13(5-7-2-3-10(12)18-7)20(16,17)8-4-9(11(14)15)19-6-8/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyCWEKEUHCAXPRBE-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.62
Rot. Bonds5

About 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid

4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61073791) has the molecular formula C11H10BrNO5S2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61073791
Molecular FormulaC11H10BrNO5S2
Molecular Weight380.24 g/mol
Exact Mass378.92
IUPAC Name4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccc(Br)o1)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H10BrNO5S2/c1-13(5-7-2-3-10(12)18-7)20(16,17)8-4-9(11(14)15)19-6-8/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyCWEKEUHCAXPRBE-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

Analyze 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
6-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63871848
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61063163
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073778
4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6486033
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823204
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,5-trimethylbenzenesulfonamide
CID 61115072
4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072437
2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
CID 112684674
3-amino-N-[(5-bromofuran-2-yl)methyl]-5-chloro-N,4-dimethylbenzenesulfonamide
CID 61115068
4-[(4-chloro-1-methylpyrrol-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 154787107

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid (CID 61073791) is 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid is CN(Cc1ccc(Br)o1)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is CWEKEUHCAXPRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO5S2/c1-13(5-7-2-3-10(12)18-7)20(16,17)8-4-9(11(14)15)19-6-8/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-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 4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61073791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).