4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide

C20H21ClN2O3S — CID 24679248

IUPAC4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O3S/c1-22-20(24)17-6-2-16(3-7-17)14-23(19-10-11-19)27(25,26)13-12-15-4-8-18(21)9-5-15/h2-9,12-13,19H,10-11,14H2,1H3,(H,22,24)/b13-12+
InChIKeyFOALOKRSXXTJQY-OUKQBFOZSA-N
MW404.92 g/mol
LogP3.66
Rot. Bonds7

About 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide

4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide (PubChem CID 24679248) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
PubChem CID24679248
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O3S/c1-22-20(24)17-6-2-16(3-7-17)14-23(19-10-11-19)27(25,26)13-12-15-4-8-18(21)9-5-15/h2-9,12-13,19H,10-11,14H2,1H3,(H,22,24)/b13-12+
InChIKeyFOALOKRSXXTJQY-OUKQBFOZSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide (CID 24679248) is 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide?
The InChIKey is FOALOKRSXXTJQY-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-22-20(24)17-6-2-16(3-7-17)14-23(19-10-11-19)27(25,26)13-12-15-4-8-18(21)9-5-15/h2-9,12-13,19H,10-11,14H2,1H3,(H,22,24)/b13-12+.
What are the key properties of 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide?
4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide has a molecular weight of 404.92 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 24679248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).