2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide

C11H13F3N2O4S — CID 11427353

IUPAC2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)C(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C11H13F3N2O4S/c1-20-8-3-2-7(6-9(8)21(15,18)19)4-5-16-10(17)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyZNVXAYZMVYFIQX-UHFFFAOYSA-N
MW326.30 g/mol
LogP0.56
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide (PubChem CID 11427353) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
PubChem CID11427353
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Name2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)C(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C11H13F3N2O4S/c1-20-8-3-2-7(6-9(8)21(15,18)19)4-5-16-10(17)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyZNVXAYZMVYFIQX-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide (CID 11427353) is 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)C(F)(F)F)cc1S(N)(=O)=O.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is ZNVXAYZMVYFIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-20-8-3-2-7(6-9(8)21(15,18)19)4-5-16-10(17)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 326.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 11427353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).