5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid

C8H8F3NO4S2 — CID 54907426

IUPAC5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C8H8F3NO4S2/c1-12(4-8(9,10)11)18(15,16)6-3-2-5(17-6)7(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyDZYLMGMQVSIMRR-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.63
Rot. Bonds4

About 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid

5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 54907426) has the molecular formula C8H8F3NO4S2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID54907426
Molecular FormulaC8H8F3NO4S2
Molecular Weight303.28 g/mol
Exact Mass302.98
IUPAC Name5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C8H8F3NO4S2/c1-12(4-8(9,10)11)18(15,16)6-3-2-5(17-6)7(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyDZYLMGMQVSIMRR-UHFFFAOYSA-N
XLogP1.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methanesulfonylthiophene-2-carboxylic acid
CID 2740497
5-Sulfamoylthiophene-2-carboxylic acid
CID 341066
5-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 1509012
5-(1-Pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid
CID 61027232
3-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 16227157
4-(Isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
CID 624460
3-(Thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid
CID 43146630
5-bromo-4-(N,N-dimethylsulfamoyl)thiophene-2-carboxylic acid
CID 43245253
5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid
CID 726430
3-(Methylsulfamoyl)thiophene-2-carboxylic acid
CID 16639914
N,N-diethylethanamine;5-(trifluoromethyl)thiophene-2-carboxylic acid
CID 174935437
4-(Pyrrolidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 706587

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 54907426) is 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is CN(CC(F)(F)F)S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is DZYLMGMQVSIMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO4S2/c1-12(4-8(9,10)11)18(15,16)6-3-2-5(17-6)7(13)14/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 303.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 54907426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).