2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C12H13F3N2O3S — CID 2506735

IUPAC2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESC=CCN(CC(N)=O)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O3S/c1-2-7-17(8-11(16)18)21(19,20)10-6-4-3-5-9(10)12(13,14)15/h2-6H,1,7-8H2,(H2,16,18)
InChIKeyIUAPPZWMLFVAAK-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.37
Rot. Bonds6

About 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide

2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 2506735) has the molecular formula C12H13F3N2O3S and a molecular weight of 322.31 g/mol. Its IUPAC name is 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID2506735
Molecular FormulaC12H13F3N2O3S
Molecular Weight322.31 g/mol
Exact Mass322.06
IUPAC Name2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESC=CCN(CC(N)=O)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O3S/c1-2-7-17(8-11(16)18)21(19,20)10-6-4-3-5-9(10)12(13,14)15/h2-6H,1,7-8H2,(H2,16,18)
InChIKeyIUAPPZWMLFVAAK-UHFFFAOYSA-N
XLogP1.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 2506735) is 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide is C=CCN(CC(N)=O)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is IUAPPZWMLFVAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3S/c1-2-7-17(8-11(16)18)21(19,20)10-6-4-3-5-9(10)12(13,14)15/h2-6H,1,7-8H2,(H2,16,18).
What are the key properties of 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 322.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 2506735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).