2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide

C13H14ClF3N2O3S — CID 15118163

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(N)=O)S(=O)(=O)Cc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O3S/c1-2-5-19(7-12(18)20)23(21,22)8-9-3-4-11(14)10(6-9)13(15,16)17/h2-4,6H,1,5,7-8H2,(H2,18,20)
InChIKeyCNYNRGYGMRBQDV-UHFFFAOYSA-N
MW370.78 g/mol
LogP2.16
Rot. Bonds7

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide

2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide (PubChem CID 15118163) has the molecular formula C13H14ClF3N2O3S and a molecular weight of 370.78 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide
PubChem CID15118163
Molecular FormulaC13H14ClF3N2O3S
Molecular Weight370.78 g/mol
Exact Mass370.04
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(N)=O)S(=O)(=O)Cc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O3S/c1-2-5-19(7-12(18)20)23(21,22)8-9-3-4-11(14)10(6-9)13(15,16)17/h2-4,6H,1,5,7-8H2,(H2,18,20)
InChIKeyCNYNRGYGMRBQDV-UHFFFAOYSA-N
XLogP2.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.78
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide
CID 15118143
4-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 111117899
4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
CID 43362563
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 30233401
2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide
CID 22294661
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26055242
2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 26528259
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 31522157
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclohexyl-1-prop-2-enylurea
CID 3790430
N-(cyanomethyl)-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616014
2-[oxiran-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118290

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide (CID 15118163) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide is C=CCN(CC(N)=O)S(=O)(=O)Cc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide?
The InChIKey is CNYNRGYGMRBQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O3S/c1-2-5-19(7-12(18)20)23(21,22)8-9-3-4-11(14)10(6-9)13(15,16)17/h2-4,6H,1,5,7-8H2,(H2,18,20).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide?
2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide has a molecular weight of 370.78 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]acetamide is sourced from PubChem (CID 15118163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).