4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid

C10H12F3NO4S2 — CID 102748932

IUPAC4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H12F3NO4S2/c1-6-5-19-7(9(15)16)8(6)20(17,18)14(2)4-3-10(11,12)13/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyMJIQAXDCKMUXLI-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.33
Rot. Bonds5

About 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102748932) has the molecular formula C10H12F3NO4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID102748932
Molecular FormulaC10H12F3NO4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Name4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H12F3NO4S2/c1-6-5-19-7(9(15)16)8(6)20(17,18)14(2)4-3-10(11,12)13/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyMJIQAXDCKMUXLI-UHFFFAOYSA-N
XLogP2.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid (CID 102748932) is 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is MJIQAXDCKMUXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S2/c1-6-5-19-7(9(15)16)8(6)20(17,18)14(2)4-3-10(11,12)13/h5H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102748932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).