4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

C13H12FNO4S2 — CID 63328701

IUPAC4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO4S2/c1-8-12(7-11(20-8)13(16)17)21(18,19)15(2)10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,16,17)
InChIKeyXGQYLPPGKLVEER-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.72
Rot. Bonds4

About 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63328701) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63328701
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO4S2/c1-8-12(7-11(20-8)13(16)17)21(18,19)15(2)10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,16,17)
InChIKeyXGQYLPPGKLVEER-UHFFFAOYSA-N
XLogP2.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63328701) is 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is XGQYLPPGKLVEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-8-12(7-11(20-8)13(16)17)21(18,19)15(2)10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,16,17).
What are the key properties of 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63328701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).