2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O4S — CID 82914174

IUPAC2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(F)(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H13F3N2O4S/c1-7-2-3-8(9(4-7)21(15,18)19)20-5-10(17)16-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyBXKHQTIMOOBLEG-UHFFFAOYSA-N
MW326.30 g/mol
LogP0.70
Rot. Bonds5

About 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 82914174) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID82914174
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Name2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(F)(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H13F3N2O4S/c1-7-2-3-8(9(4-7)21(15,18)19)20-5-10(17)16-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyBXKHQTIMOOBLEG-UHFFFAOYSA-N
XLogP0.70
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 82914174) is 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(OCC(=O)NCC(F)(F)F)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BXKHQTIMOOBLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-7-2-3-8(9(4-7)21(15,18)19)20-5-10(17)16-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 326.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 82914174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).