5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid

C10H12F3NO4S2 — CID 115515900

IUPAC5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NCCCCC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO4S2/c11-10(12,13)3-1-2-4-14-20(17,18)8-5-7(6-19-8)9(15)16/h5-6,14H,1-4H2,(H,15,16)
InChIKeyOGLZYDJYFHUBEK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.46
Rot. Bonds7

About 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid

5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 115515900) has the molecular formula C10H12F3NO4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID115515900
Molecular FormulaC10H12F3NO4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Name5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NCCCCC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO4S2/c11-10(12,13)3-1-2-4-14-20(17,18)8-5-7(6-19-8)9(15)16/h5-6,14H,1-4H2,(H,15,16)
InChIKeyOGLZYDJYFHUBEK-UHFFFAOYSA-N
XLogP2.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
CID 62667746
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115491568
4-amino-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 63226058
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
4-bromo-3-(4,4,4-trifluorobutylsulfamoyl)benzoic acid
CID 115515879
5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 106414900
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 103004685
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345

Frequently Asked Questions

What is the IUPAC name of 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid (CID 115515900) is 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)NCCCCC(F)(F)F)c1.
What is the InChIKey of 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is OGLZYDJYFHUBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S2/c11-10(12,13)3-1-2-4-14-20(17,18)8-5-7(6-19-8)9(15)16/h5-6,14H,1-4H2,(H,15,16).
What are the key properties of 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid?
5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 115515900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).