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

C11H8INO4S2 — CID 54907564

IUPAC5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C11H8INO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)10-6-5-9(18-10)11(14)15/h1-6,13H,(H,14,15)
InChIKeyDBYQHQTUMGHJAW-UHFFFAOYSA-N
MW409.23 g/mol
LogP2.85
Rot. Bonds4

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

5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 54907564) has the molecular formula C11H8INO4S2 and a molecular weight of 409.23 g/mol. Its IUPAC name is 5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID54907564
Molecular FormulaC11H8INO4S2
Molecular Weight409.23 g/mol
Exact Mass408.89
IUPAC Name5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C11H8INO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)10-6-5-9(18-10)11(14)15/h1-6,13H,(H,14,15)
InChIKeyDBYQHQTUMGHJAW-UHFFFAOYSA-N
XLogP2.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-[(4-iodophenyl)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-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026736
5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61027110
5-[(3-bromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63334136
5-(1,2-oxazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62904176
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026611
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029

Frequently Asked Questions

What is the IUPAC name of 5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 54907564) is 5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1.
What is the InChIKey of 5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is DBYQHQTUMGHJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)10-6-5-9(18-10)11(14)15/h1-6,13H,(H,14,15).
What are the key properties of 5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 409.23 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 54907564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).