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

C12H10INO4S2 — CID 63327978

IUPAC4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H10INO4S2/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyBNJZTLNIUCSXCW-UHFFFAOYSA-N
MW423.25 g/mol
LogP3.16
Rot. Bonds4

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

4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63327978) has the molecular formula C12H10INO4S2 and a molecular weight of 423.25 g/mol. Its IUPAC name is 4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63327978
Molecular FormulaC12H10INO4S2
Molecular Weight423.25 g/mol
Exact Mass422.91
IUPAC Name4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H10INO4S2/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyBNJZTLNIUCSXCW-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

4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927
4-[(4-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 6502862
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide
CID 6502917
5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55201517
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114931977
5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 63329090
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327974
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63327978) is 4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccc(I)cc1.
What is the InChIKey of 4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is BNJZTLNIUCSXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO4S2/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16).
What are the key properties of 4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(4-iodophenyl)sulfamoyl]-5-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 4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63327978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).