2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide

C9H9F3N2O3S — CID 5054923

IUPAC2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)8(15)14-5-6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17)
InChIKeyPSURAFILOCZAMG-UHFFFAOYSA-N
MW282.24 g/mol
LogP0.51
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide

2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 5054923) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID5054923
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)8(15)14-5-6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17)
InChIKeyPSURAFILOCZAMG-UHFFFAOYSA-N
XLogP0.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 5054923) is 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is PSURAFILOCZAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c10-9(11,12)8(15)14-5-6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17).
What are the key properties of 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 282.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 5054923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).