5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C12H10INO4S2 — CID 43314539

IUPAC5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cccc(I)c2)sc1C(=O)O
InChIInChI=1S/C12H10INO4S2/c1-7-5-10(19-11(7)12(15)16)20(17,18)14-9-4-2-3-8(13)6-9/h2-6,14H,1H3,(H,15,16)
InChIKeyZAMWHWCAPAYRHM-UHFFFAOYSA-N
MW423.25 g/mol
LogP3.16
Rot. Bonds4

About 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 43314539) has the molecular formula C12H10INO4S2 and a molecular weight of 423.25 g/mol. Its IUPAC name is 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID43314539
Molecular FormulaC12H10INO4S2
Molecular Weight423.25 g/mol
Exact Mass422.91
IUPAC Name5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cccc(I)c2)sc1C(=O)O
InChIInChI=1S/C12H10INO4S2/c1-7-5-10(19-11(7)12(15)16)20(17,18)14-9-4-2-3-8(13)6-9/h2-6,14H,1H3,(H,15,16)
InChIKeyZAMWHWCAPAYRHM-UHFFFAOYSA-N
XLogP3.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 43314539) is 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2cccc(I)c2)sc1C(=O)O.
What is the InChIKey of 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is ZAMWHWCAPAYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO4S2/c1-7-5-10(19-11(7)12(15)16)20(17,18)14-9-4-2-3-8(13)6-9/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 423.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43314539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).