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

C13H12FNO4S2 — CID 45298932

IUPAC5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C13H12FNO4S2/c1-2-15(11-5-3-10(14)4-6-11)21(18,19)12-7-9(8-20-12)13(16)17/h3-8H,2H2,1H3,(H,16,17)
InChIKeyLIZXKCLHSUPFHD-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.80
Rot. Bonds5

About 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 45298932) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID45298932
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C13H12FNO4S2/c1-2-15(11-5-3-10(14)4-6-11)21(18,19)12-7-9(8-20-12)13(16)17/h3-8H,2H2,1H3,(H,16,17)
InChIKeyLIZXKCLHSUPFHD-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

5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60951577
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55384100
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
4-[carboxymethyl-(4-fluorophenyl)sulfonylamino]benzoic acid
CID 50894343
4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 61066900
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 25352849
2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide
CID 62159440
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide
CID 3109560

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 45298932) is 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid is CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is LIZXKCLHSUPFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-2-15(11-5-3-10(14)4-6-11)21(18,19)12-7-9(8-20-12)13(16)17/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-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 5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 45298932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).