(E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide

C16H14ClF3N2O3S — CID 39667020

IUPAC(E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N2O3S/c17-14-3-1-12(2-4-14)6-8-26(23,24)22-10-13-5-7-21-15(9-13)25-11-16(18,19)20/h1-9,22H,10-11H2/b8-6+
InChIKeyOVNROAPXLUAOTI-SOFGYWHQSA-N
MW406.81 g/mol
LogP3.77
Rot. Bonds7

About (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide (PubChem CID 39667020) has the molecular formula C16H14ClF3N2O3S and a molecular weight of 406.81 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide
PubChem CID39667020
Molecular FormulaC16H14ClF3N2O3S
Molecular Weight406.81 g/mol
Exact Mass406.04
IUPAC Name(E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N2O3S/c17-14-3-1-12(2-4-14)6-8-26(23,24)22-10-13-5-7-21-15(9-13)25-11-16(18,19)20/h1-9,22H,10-11H2/b8-6+
InChIKeyOVNROAPXLUAOTI-SOFGYWHQSA-N
XLogP3.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide (CID 39667020) is (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide?
The InChIKey is OVNROAPXLUAOTI-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3S/c17-14-3-1-12(2-4-14)6-8-26(23,24)22-10-13-5-7-21-15(9-13)25-11-16(18,19)20/h1-9,22H,10-11H2/b8-6+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide has a molecular weight of 406.81 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]ethenesulfonamide is sourced from PubChem (CID 39667020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).