5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

C11H6F3NO4S2 — CID 61026611

IUPAC5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C11H6F3NO4S2/c12-5-1-2-6(10(14)9(5)13)15-21(18,19)8-4-3-7(20-8)11(16)17/h1-4,15H,(H,16,17)
InChIKeyPNQSIAAFRMRBKA-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.66
Rot. Bonds4

About 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61026611) has the molecular formula C11H6F3NO4S2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61026611
Molecular FormulaC11H6F3NO4S2
Molecular Weight337.30 g/mol
Exact Mass336.97
IUPAC Name5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C11H6F3NO4S2/c12-5-1-2-6(10(14)9(5)13)15-21(18,19)8-4-3-7(20-8)11(16)17/h1-4,15H,(H,16,17)
InChIKeyPNQSIAAFRMRBKA-UHFFFAOYSA-N
XLogP2.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027238
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
3-methyl-5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115485
5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027646
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82888796
5-[(2,3,4-trifluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911015
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide
CID 107971341
5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61027657

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61026611) is 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)s1.
What is the InChIKey of 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is PNQSIAAFRMRBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO4S2/c12-5-1-2-6(10(14)9(5)13)15-21(18,19)8-4-3-7(20-8)11(16)17/h1-4,15H,(H,16,17).
What are the key properties of 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 337.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61026611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).