4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide

C16H18N2O2S — CID 5472593

IUPAC4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide
SMILESCN(C)c1ccc(/C=C/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-18(2)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)21(17,19)20/h3-12H,1-2H3,(H2,17,19,20)/b4-3+
InChIKeyAZJCYZBSMRXCNX-ONEGZZNKSA-N
MW302.40 g/mol
LogP2.57
Rot. Bonds4

About 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide

4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide (PubChem CID 5472593) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide
PubChem CID5472593
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide
SMILESCN(C)c1ccc(/C=C/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-18(2)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)21(17,19)20/h3-12H,1-2H3,(H2,17,19,20)/b4-3+
InChIKeyAZJCYZBSMRXCNX-ONEGZZNKSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide?
The IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide (CID 5472593) is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide?
The canonical SMILES for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide is CN(C)c1ccc(/C=C/c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide?
The InChIKey is AZJCYZBSMRXCNX-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18(2)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)21(17,19)20/h3-12H,1-2H3,(H2,17,19,20)/b4-3+.
What are the key properties of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide?
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzenesulfonamide is sourced from PubChem (CID 5472593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).