N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide

C28H25NO3S — CID 123824288

IUPACN-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccccc1-c1ccccc1C=Cc1ccc(O)cc1
InChIInChI=1S/C28H25NO3S/c30-26-18-15-22(16-19-26)14-17-24-10-4-6-12-27(24)28-13-7-5-11-25(28)20-29-33(31,32)21-23-8-2-1-3-9-23/h1-19,29-30H,20-21H2
InChIKeyWXSFXBMGAGSTCT-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.85
Rot. Bonds8

About N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide

N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide (PubChem CID 123824288) has the molecular formula C28H25NO3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide
PubChem CID123824288
Molecular FormulaC28H25NO3S
Molecular Weight455.58 g/mol
Exact Mass455.16
IUPAC NameN-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccccc1-c1ccccc1C=Cc1ccc(O)cc1
InChIInChI=1S/C28H25NO3S/c30-26-18-15-22(16-19-26)14-17-24-10-4-6-12-27(24)28-13-7-5-11-25(28)20-29-33(31,32)21-23-8-2-1-3-9-23/h1-19,29-30H,20-21H2
InChIKeyWXSFXBMGAGSTCT-UHFFFAOYSA-N
XLogP5.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide (CID 123824288) is N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccccc1-c1ccccc1C=Cc1ccc(O)cc1.
What is the InChIKey of N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is WXSFXBMGAGSTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3S/c30-26-18-15-22(16-19-26)14-17-24-10-4-6-12-27(24)28-13-7-5-11-25(28)20-29-33(31,32)21-23-8-2-1-3-9-23/h1-19,29-30H,20-21H2.
What are the key properties of N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide?
N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 5.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 123824288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).