(E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide

C21H20N2O2S — CID 90481148

IUPAC(E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-17-2-4-18(5-3-17)12-15-26(24,25)23-21-8-6-19(7-9-21)16-20-10-13-22-14-11-20/h2-15,23H,16H2,1H3/b15-12+
InChIKeyIMNWCIHIRUDTRY-NTCAYCPXSA-N
MW364.47 g/mol
LogP4.39
Rot. Bonds6

About (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide

(E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide (PubChem CID 90481148) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide
PubChem CID90481148
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-17-2-4-18(5-3-17)12-15-26(24,25)23-21-8-6-19(7-9-21)16-20-10-13-22-14-11-20/h2-15,23H,16H2,1H3/b15-12+
InChIKeyIMNWCIHIRUDTRY-NTCAYCPXSA-N
XLogP4.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide (CID 90481148) is (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide?
The InChIKey is IMNWCIHIRUDTRY-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-17-2-4-18(5-3-17)12-15-26(24,25)23-21-8-6-19(7-9-21)16-20-10-13-22-14-11-20/h2-15,23H,16H2,1H3/b15-12+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide is sourced from PubChem (CID 90481148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).