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

C7H6F3NO4S2 — CID 43164789

IUPAC3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H6F3NO4S2/c8-7(9,10)3-11-17(14,15)4-1-2-16-5(4)6(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyXZXBODQKESSHNN-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.29
Rot. Bonds4

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

3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43164789) has the molecular formula C7H6F3NO4S2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43164789
Molecular FormulaC7H6F3NO4S2
Molecular Weight289.26 g/mol
Exact Mass288.97
IUPAC Name3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H6F3NO4S2/c8-7(9,10)3-11-17(14,15)4-1-2-16-5(4)6(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyXZXBODQKESSHNN-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

2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-
CID 3042286
methyl 3-(N-methylsulfamoyl)thiophene-2-carboxylate
CID 12906749
5-Sulfamoylthiophene-2-carboxylic acid
CID 341066
3-Methanesulfonylthiophene-2-carboxylic acid
CID 609810
3-(Cyclopropylsulfamoyl)thiophene-2-carboxylic acid
CID 16227156
4-Sulfamoylthiophene-2-carboxylic acid
CID 1273926
3-(Cycloheptylsulfamoyl)thiophene-2-carboxylic acid
CID 17221131
3-(Thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid
CID 43146630
3-Sulfo-2-thiophenecarboxylic acid
CID 13755630
3-(Methylsulfamoyl)thiophene-2-carboxylic acid
CID 16639914
3-Ethylsulfonyl-5-(trifluoromethyl)thiophene-2-carboxylic acid
CID 117779796
4-[(Tert-butylamino)sulfonyl]-2-thiophenecarboxylic acid
CID 42562023

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid (CID 43164789) is 3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is XZXBODQKESSHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO4S2/c8-7(9,10)3-11-17(14,15)4-1-2-16-5(4)6(12)13/h1-2,11H,3H2,(H,12,13).
What are the key properties of 3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
3-(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 3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43164789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).