4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C9H10F3NO4S2 — CID 114129755

IUPAC4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H10F3NO4S2/c1-5(3-9(10,11)12)13-19(16,17)6-2-7(8(14)15)18-4-6/h2,4-5,13H,3H2,1H3,(H,14,15)
InChIKeyAFAUVQUCBFCKMT-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.07
Rot. Bonds5

About 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid

4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 114129755) has the molecular formula C9H10F3NO4S2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID114129755
Molecular FormulaC9H10F3NO4S2
Molecular Weight317.31 g/mol
Exact Mass317.00
IUPAC Name4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H10F3NO4S2/c1-5(3-9(10,11)12)13-19(16,17)6-2-7(8(14)15)18-4-6/h2,4-5,13H,3H2,1H3,(H,14,15)
InChIKeyAFAUVQUCBFCKMT-UHFFFAOYSA-N
XLogP2.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 114129755) is 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid is CC(CC(F)(F)F)NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is AFAUVQUCBFCKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S2/c1-5(3-9(10,11)12)13-19(16,17)6-2-7(8(14)15)18-4-6/h2,4-5,13H,3H2,1H3,(H,14,15).
What are the key properties of 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 317.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 114129755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).