(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
(E)-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
CID 122284779
(E)-2-(4-chlorophenyl)-N-(4-ethylphenyl)ethenesulfonamide
CID 26970345
(E)-3-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 7897230
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 122285710
(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 31073687
(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide
CID 90481144
(E)-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90557421
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60532924
N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 71890358
(E)-2-(4-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethenesulfonamide
CID 122309492

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).