3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid

C8H7F4NO4S2 — CID 114169173

IUPAC3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H7F4NO4S2/c9-7(10)8(11,12)3-13-19(16,17)4-1-2-18-5(4)6(14)15/h1-2,7,13H,3H2,(H,14,15)
InChIKeyQPKILFUTYGBLFR-UHFFFAOYSA-N
MW321.27 g/mol
LogP1.62
Rot. Bonds6

About 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid

3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 114169173) has the molecular formula C8H7F4NO4S2 and a molecular weight of 321.27 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID114169173
Molecular FormulaC8H7F4NO4S2
Molecular Weight321.27 g/mol
Exact Mass320.98
IUPAC Name3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H7F4NO4S2/c9-7(10)8(11,12)3-13-19(16,17)4-1-2-18-5(4)6(14)15/h1-2,7,13H,3H2,(H,14,15)
InChIKeyQPKILFUTYGBLFR-UHFFFAOYSA-N
XLogP1.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114153141
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
3-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophene-2-carboxylic acid
CID 106294365
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766
3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 17221138
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-(2,2,3,3-tetrafluoropropylsulfamoyl)benzoic acid
CID 106290548
5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
CID 106290683

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid (CID 114169173) is 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is QPKILFUTYGBLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO4S2/c9-7(10)8(11,12)3-13-19(16,17)4-1-2-18-5(4)6(14)15/h1-2,7,13H,3H2,(H,14,15).
What are the key properties of 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid?
3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 321.27 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 114169173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).