2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide

C10H9F3N2O3S — CID 162554213

IUPAC2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O3S/c1-6(9(14)16)7-2-4-8(5-3-7)15-19(17,18)10(11,12)13/h2-5,15H,1H2,(H2,14,16)
InChIKeyZJUZUQXSHLYTHG-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.45
Rot. Bonds4

About 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide

2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide (PubChem CID 162554213) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide
PubChem CID162554213
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O3S/c1-6(9(14)16)7-2-4-8(5-3-7)15-19(17,18)10(11,12)13/h2-5,15H,1H2,(H2,14,16)
InChIKeyZJUZUQXSHLYTHG-UHFFFAOYSA-N
XLogP1.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide?
The IUPAC name of 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide (CID 162554213) is 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide.
What is the SMILES notation for 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide?
The canonical SMILES for 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide is C=C(C(N)=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide?
The InChIKey is ZJUZUQXSHLYTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c1-6(9(14)16)7-2-4-8(5-3-7)15-19(17,18)10(11,12)13/h2-5,15H,1H2,(H2,14,16).
What are the key properties of 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide?
2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide has a molecular weight of 294.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 162554213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).