(E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide

C25H25N3O2S — CID 123213535

IUPAC(E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide
SMILES[H]/N=N/Cc1cccc(C(=C(CC)c2ccccc2)c2ccc(/C=C/S(N)(=O)=O)cc2)c1
InChIInChI=1S/C25H25N3O2S/c1-2-24(21-8-4-3-5-9-21)25(23-10-6-7-20(17-23)18-28-26)22-13-11-19(12-14-22)15-16-31(27,29)30/h3-17,26H,2,18H2,1H3,(H2,27,29,30)/b16-15+,25-24?,28-26+
InChIKeyZBKPMHPSEJNDNX-QMZVTXBMSA-N
MW431.56 g/mol
LogP5.85
Rot. Bonds8

About (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide

(E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide (PubChem CID 123213535) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide
PubChem CID123213535
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name(E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide
SMILES[H]/N=N/Cc1cccc(C(=C(CC)c2ccccc2)c2ccc(/C=C/S(N)(=O)=O)cc2)c1
InChIInChI=1S/C25H25N3O2S/c1-2-24(21-8-4-3-5-9-21)25(23-10-6-7-20(17-23)18-28-26)22-13-11-19(12-14-22)15-16-31(27,29)30/h3-17,26H,2,18H2,1H3,(H2,27,29,30)/b16-15+,25-24?,28-26+
InChIKeyZBKPMHPSEJNDNX-QMZVTXBMSA-N
XLogP5.85
TPSA96.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide (CID 123213535) is (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide is [H]/N=N/Cc1cccc(C(=C(CC)c2ccccc2)c2ccc(/C=C/S(N)(=O)=O)cc2)c1.
What is the InChIKey of (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide?
The InChIKey is ZBKPMHPSEJNDNX-QMZVTXBMSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-2-24(21-8-4-3-5-9-21)25(23-10-6-7-20(17-23)18-28-26)22-13-11-19(12-14-22)15-16-31(27,29)30/h3-17,26H,2,18H2,1H3,(H2,27,29,30)/b16-15+,25-24?,28-26+.
What are the key properties of (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide?
(E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide has a molecular weight of 431.56 g/mol, XLogP of 5.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-[1-[3-(diazenylmethyl)phenyl]-2-phenylbut-1-enyl]phenyl]ethenesulfonamide is sourced from PubChem (CID 123213535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).