(E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide

C10H8F3NO3S — CID 122220938

IUPAC(E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO3S/c11-10(12,13)18(16,17)14-9(15)7-6-8-4-2-1-3-5-8/h1-7H,(H,14,15)/b7-6+
InChIKeyIDQCMEGLTBWKNX-VOTSOKGWSA-N
MW279.24 g/mol
LogP1.67
Rot. Bonds3

About (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide

(E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide (PubChem CID 122220938) has the molecular formula C10H8F3NO3S and a molecular weight of 279.24 g/mol. Its IUPAC name is (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide
PubChem CID122220938
Molecular FormulaC10H8F3NO3S
Molecular Weight279.24 g/mol
Exact Mass279.02
IUPAC Name(E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO3S/c11-10(12,13)18(16,17)14-9(15)7-6-8-4-2-1-3-5-8/h1-7H,(H,14,15)/b7-6+
InChIKeyIDQCMEGLTBWKNX-VOTSOKGWSA-N
XLogP1.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide (CID 122220938) is (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide is O=C(/C=C/c1ccccc1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide?
The InChIKey is IDQCMEGLTBWKNX-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H8F3NO3S/c11-10(12,13)18(16,17)14-9(15)7-6-8-4-2-1-3-5-8/h1-7H,(H,14,15)/b7-6+.
What are the key properties of (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide?
(E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide has a molecular weight of 279.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(trifluoromethylsulfonyl)prop-2-enamide is sourced from PubChem (CID 122220938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).