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

C11H8FNO4S2 — CID 17221149

IUPAC3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H8FNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKeyJFKISMOGRQMUSC-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.39
Rot. Bonds4

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

3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 17221149) has the molecular formula C11H8FNO4S2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID17221149
Molecular FormulaC11H8FNO4S2
Molecular Weight301.32 g/mol
Exact Mass300.99
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H8FNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKeyJFKISMOGRQMUSC-UHFFFAOYSA-N
XLogP2.39
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 17221149) is 3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is JFKISMOGRQMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 17221149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).