4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid

C8H8F3NO4S2 — CID 63618345

IUPAC4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCC(F)(F)F)cs1
InChIInChI=1S/C8H8F3NO4S2/c9-8(10,11)1-2-12-18(15,16)5-3-6(7(13)14)17-4-5/h3-4,12H,1-2H2,(H,13,14)
InChIKeyCUSXSZBOASMUHJ-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.68
Rot. Bonds5

About 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid

4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 63618345) has the molecular formula C8H8F3NO4S2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID63618345
Molecular FormulaC8H8F3NO4S2
Molecular Weight303.28 g/mol
Exact Mass302.98
IUPAC Name4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCC(F)(F)F)cs1
InChIInChI=1S/C8H8F3NO4S2/c9-8(10,11)1-2-12-18(15,16)5-3-6(7(13)14)17-4-5/h3-4,12H,1-2H2,(H,13,14)
InChIKeyCUSXSZBOASMUHJ-UHFFFAOYSA-N
XLogP1.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-[2-(3-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073730
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61062567
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
1-propan-2-yl-4-(3,3,3-trifluoropropylsulfamoyl)pyrrole-2-carboxylic acid
CID 63226046
4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 138032189

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid (CID 63618345) is 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCC(F)(F)F)cs1.
What is the InChIKey of 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is CUSXSZBOASMUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO4S2/c9-8(10,11)1-2-12-18(15,16)5-3-6(7(13)14)17-4-5/h3-4,12H,1-2H2,(H,13,14).
What are the key properties of 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid?
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 303.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63618345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).