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

C13H12FNO4S2 — CID 62050227

IUPAC4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(c1ccccc1F)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C13H12FNO4S2/c1-2-15(11-6-4-3-5-10(11)14)21(18,19)9-7-12(13(16)17)20-8-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyJVIQYSDMZIMOLS-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.80
Rot. Bonds5

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

4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 62050227) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID62050227
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(c1ccccc1F)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C13H12FNO4S2/c1-2-15(11-6-4-3-5-10(11)14)21(18,19)9-7-12(13(16)17)20-8-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyJVIQYSDMZIMOLS-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

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Related Compounds

4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
N-ethyl-3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299977
4-[ethyl(2-methylprop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55150197
4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618317
4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617805
4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61072691
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107027791
4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 6949945
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2,6-diethylphenyl)acetamide
CID 126120612
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
N,N-diethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256313
propan-2-yl 2-[N-(benzenesulfonyl)-2-fluoroanilino]acetate
CID 50890112

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 62050227) is 4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(c1ccccc1F)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is JVIQYSDMZIMOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-2-15(11-6-4-3-5-10(11)14)21(18,19)9-7-12(13(16)17)20-8-9/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[ethyl-(2-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-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 62050227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).