4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

C13H12FNO4S2 — CID 61062198

IUPAC4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C13H12FNO4S2/c1-2-15(10-5-3-4-9(14)6-10)21(18,19)11-7-12(13(16)17)20-8-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyQGNFGTYKBKRGMR-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.80
Rot. Bonds5

About 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61062198) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61062198
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C13H12FNO4S2/c1-2-15(10-5-3-4-9(14)6-10)21(18,19)11-7-12(13(16)17)20-8-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyQGNFGTYKBKRGMR-UHFFFAOYSA-N
XLogP2.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-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

Related Compounds

3-(2-Piperidin-1-yl-phenylsulfamoyl)-thiophene-2-carboxylic acid
CID 2809668
2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)-, methyl ester
CID 3072130
2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)-
CID 3072131
3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)-, methyl ester
CID 3072132
3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)-
CID 3072133
3-[(4-Fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 17221149
3-(4-Sulfamoyl-phenylsulfamoyl)-thiophene-2-carboxylic acid
CID 2809622
Methyl 3-[(4-phenylpiperazin-1-yl)sulfonyl]thiophene-2-carboxylate
CID 7214888
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid
CID 51115553
5-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 51121385
5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 56797636
5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid
CID 56797639

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61062198) is 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(c1cccc(F)c1)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QGNFGTYKBKRGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-2-15(10-5-3-4-9(14)6-10)21(18,19)11-7-12(13(16)17)20-8-11/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61062198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).