5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H9Br2NO4S2 — CID 82745764

IUPAC5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(C(=O)O)sc2Br)c1
InChIInChI=1S/C12H9Br2NO4S2/c1-6-2-3-7(13)8(4-6)15-21(18,19)10-5-9(12(16)17)20-11(10)14/h2-5,15H,1H3,(H,16,17)
InChIKeyGUVYYNPJSOEMNT-UHFFFAOYSA-N
MW455.15 g/mol
LogP4.08
Rot. Bonds4

About 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 82745764) has the molecular formula C12H9Br2NO4S2 and a molecular weight of 455.15 g/mol. Its IUPAC name is 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID82745764
Molecular FormulaC12H9Br2NO4S2
Molecular Weight455.15 g/mol
Exact Mass452.83
IUPAC Name5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(C(=O)O)sc2Br)c1
InChIInChI=1S/C12H9Br2NO4S2/c1-6-2-3-7(13)8(4-6)15-21(18,19)10-5-9(12(16)17)20-11(10)14/h2-5,15H,1H3,(H,16,17)
InChIKeyGUVYYNPJSOEMNT-UHFFFAOYSA-N
XLogP4.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.15
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]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

5-bromo-4-[(4-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43173260
5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79041139
5-bromo-4-[(4-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327256
5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824179
5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43351434
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
5-bromo-4-[(3-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824334
5-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362570
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 82745764) is 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1ccc(Br)c(NS(=O)(=O)c2cc(C(=O)O)sc2Br)c1.
What is the InChIKey of 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GUVYYNPJSOEMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO4S2/c1-6-2-3-7(13)8(4-6)15-21(18,19)10-5-9(12(16)17)20-11(10)14/h2-5,15H,1H3,(H,16,17).
What are the key properties of 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 455.15 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 82745764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).