4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid

C7H6F3NO4S2 — CID 55249941

IUPAC4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO4S2/c8-7(9,10)3-11-17(14,15)4-1-5(6(12)13)16-2-4/h1-2,11H,3H2,(H,12,13)
InChIKeyAFSNZEOYGHYOHS-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.29
Rot. Bonds4

About 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid

4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 55249941) has the molecular formula C7H6F3NO4S2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID55249941
Molecular FormulaC7H6F3NO4S2
Molecular Weight289.26 g/mol
Exact Mass288.97
IUPAC Name4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO4S2/c8-7(9,10)3-11-17(14,15)4-1-5(6(12)13)16-2-4/h1-2,11H,3H2,(H,12,13)
InChIKeyAFSNZEOYGHYOHS-UHFFFAOYSA-N
XLogP1.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61062567
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 55248975
4-[(4,5-dimethylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65246293
4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072744

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid (CID 55249941) is 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC(F)(F)F)cs1.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is AFSNZEOYGHYOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO4S2/c8-7(9,10)3-11-17(14,15)4-1-5(6(12)13)16-2-4/h1-2,11H,3H2,(H,12,13).
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 55249941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).