4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid

C10H12F3NO4S2 — CID 63618150

IUPAC4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H12F3NO4S2/c1-6(2)14(5-10(11,12)13)20(17,18)7-3-8(9(15)16)19-4-7/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeySYTLRAMNNZZUKD-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.41
Rot. Bonds5

About 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid

4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63618150) has the molecular formula C10H12F3NO4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63618150
Molecular FormulaC10H12F3NO4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Name4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H12F3NO4S2/c1-6(2)14(5-10(11,12)13)20(17,18)7-3-8(9(15)16)19-4-7/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeySYTLRAMNNZZUKD-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 63618150) is 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is CC(C)N(CC(F)(F)F)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SYTLRAMNNZZUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S2/c1-6(2)14(5-10(11,12)13)20(17,18)7-3-8(9(15)16)19-4-7/h3-4,6H,5H2,1-2H3,(H,15,16).
What are the key properties of 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63618150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).