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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Related Compounds

Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
2-Methyl-4-((4-methylphenyl)sulfonamido)thiophene-3-carboxylic acid
CID 2809655
3-(Thiophene-2-sulfonamido)benzoic acid
CID 800088
4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
Methyl 4-methyl-3-(4-toluidinosulfonyl)thiophene-2-carboxylate
CID 2807966
3-[(4-Carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 11244305
5-{[3-(Methoxymethyl)phenyl]sulfamoyl}thiophene-3-carboxylic acid
CID 33821789
3-[(4-Fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 17221149
3-(4-Sulfamoyl-phenylsulfamoyl)-thiophene-2-carboxylic acid
CID 2809622
5-[(3-Ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314463
2-[(5-Ethylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 51121391
5-[(3-Acetylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 53510056

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).