(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide

C18H20N2O3S — CID 711393

IUPAC(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O3S/c21-24(22,15-10-16-4-2-1-3-5-16)19-17-6-8-18(9-7-17)20-11-13-23-14-12-20/h1-10,15,19H,11-14H2/b15-10+
InChIKeyWXAIAZIELRAKQA-XNTDXEJSSA-N
MW344.44 g/mol
LogP2.94
Rot. Bonds5

About (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide

(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide (PubChem CID 711393) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide
PubChem CID711393
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O3S/c21-24(22,15-10-16-4-2-1-3-5-16)19-17-6-8-18(9-7-17)20-11-13-23-14-12-20/h1-10,15,19H,11-14H2/b15-10+
InChIKeyWXAIAZIELRAKQA-XNTDXEJSSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide (CID 711393) is (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide?
The InChIKey is WXAIAZIELRAKQA-XNTDXEJSSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-24(22,15-10-16-4-2-1-3-5-16)19-17-6-8-18(9-7-17)20-11-13-23-14-12-20/h1-10,15,19H,11-14H2/b15-10+.
What are the key properties of (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide?
(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 711393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).