5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid

C11H7FINO4S2 — CID 79769700

IUPAC5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccc(F)cc2I)c1
InChIInChI=1S/C11H7FINO4S2/c12-7-1-2-9(8(13)4-7)14-20(17,18)10-3-6(5-19-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyCXDKPZXDZHBFJY-UHFFFAOYSA-N
MW427.22 g/mol
LogP2.99
Rot. Bonds4

About 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 79769700) has the molecular formula C11H7FINO4S2 and a molecular weight of 427.22 g/mol. Its IUPAC name is 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID79769700
Molecular FormulaC11H7FINO4S2
Molecular Weight427.22 g/mol
Exact Mass426.88
IUPAC Name5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccc(F)cc2I)c1
InChIInChI=1S/C11H7FINO4S2/c12-7-1-2-9(8(13)4-7)14-20(17,18)10-3-6(5-19-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyCXDKPZXDZHBFJY-UHFFFAOYSA-N
XLogP2.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.22
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 25352849
5-[(2-chloro-4-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39875545
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 107787372
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843
5-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid
CID 79758173
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236888
5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43229117
3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766747
5-[(4-ethoxy-2-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56814744

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 79769700) is 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2ccc(F)cc2I)c1.
What is the InChIKey of 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is CXDKPZXDZHBFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FINO4S2/c12-7-1-2-9(8(13)4-7)14-20(17,18)10-3-6(5-19-10)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 427.22 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 79769700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).