N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide

C11H10F3NO3S — CID 125476706

IUPACN-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide
SMILESCC(=O)N/C=C/S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO3S/c1-8(16)15-6-7-19(17,18)10-4-2-9(3-5-10)11(12,13)14/h2-7H,1H3,(H,15,16)/b7-6+
InChIKeyOLGQZBXRRNNTLN-VOTSOKGWSA-N
MW293.27 g/mol
LogP2.09
Rot. Bonds3

About N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide

N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide (PubChem CID 125476706) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide
PubChem CID125476706
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC NameN-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide
SMILESCC(=O)N/C=C/S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO3S/c1-8(16)15-6-7-19(17,18)10-4-2-9(3-5-10)11(12,13)14/h2-7H,1H3,(H,15,16)/b7-6+
InChIKeyOLGQZBXRRNNTLN-VOTSOKGWSA-N
XLogP2.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-phenyl-3-[4-(trifluoromethyl)phenyl]sulfonylprop-2-en-1-one
CID 175599092
N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 24748525
N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 55537416
1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]-4-(trifluoromethyl)benzene
CID 9036037
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
2-[4-(trifluoromethyl)phenyl]sulfonylpropanoic acid
CID 58198696
3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43091494
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
N-[4-(trifluoromethyl)phenoxy]acetamide
CID 162546353
trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane
CID 130344307
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
3-methyl-N'-[4-(trifluoromethyl)phenyl]but-2-enehydrazide
CID 176904824

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide?
The IUPAC name of N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide (CID 125476706) is N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide.
What is the SMILES notation for N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide?
The canonical SMILES for N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide is CC(=O)N/C=C/S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide?
The InChIKey is OLGQZBXRRNNTLN-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c1-8(16)15-6-7-19(17,18)10-4-2-9(3-5-10)11(12,13)14/h2-7H,1H3,(H,15,16)/b7-6+.
What are the key properties of N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide?
N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide has a molecular weight of 293.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[4-(trifluoromethyl)phenyl]sulfonylethenyl]acetamide is sourced from PubChem (CID 125476706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).