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

C13H12FNO5S2 — CID 56797689

IUPAC5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1F
InChIInChI=1S/C13H12FNO5S2/c1-2-20-11-4-3-9(6-10(11)14)15-22(18,19)12-5-8(7-21-12)13(16)17/h3-7,15H,2H2,1H3,(H,16,17)
InChIKeyOHFNWEHCTYAAGT-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.78
Rot. Bonds6

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

5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 56797689) has the molecular formula C13H12FNO5S2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID56797689
Molecular FormulaC13H12FNO5S2
Molecular Weight345.37 g/mol
Exact Mass345.01
IUPAC Name5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1F
InChIInChI=1S/C13H12FNO5S2/c1-2-20-11-4-3-9(6-10(11)14)15-22(18,19)12-5-8(7-21-12)13(16)17/h3-7,15H,2H2,1H3,(H,16,17)
InChIKeyOHFNWEHCTYAAGT-UHFFFAOYSA-N
XLogP2.78
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56799233
5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39843156
5-[(4-ethoxy-2-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56814744
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
CID 110758104
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115620973
N-(3-fluoro-4-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106030451
5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 166239536

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 56797689) is 5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1F.
What is the InChIKey of 5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is OHFNWEHCTYAAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5S2/c1-2-20-11-4-3-9(6-10(11)14)15-22(18,19)12-5-8(7-21-12)13(16)17/h3-7,15H,2H2,1H3,(H,16,17).
What are the key properties of 5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 56797689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).