(NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide

C16H15NO2S — CID 25258180

IUPAC(NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide
SMILESC=Cc1ccccc1/C=N/S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H15NO2S/c1-2-15-10-6-7-11-16(15)12-17-20(18,19)13-14-8-4-3-5-9-14/h2-12H,1,13H2/b17-12+
InChIKeyNZXYJBHWOXNCJO-SFQUDFHCSA-N
MW285.37 g/mol
LogP3.28
Rot. Bonds5

About (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide

(NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide (PubChem CID 25258180) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide
PubChem CID25258180
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name(NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide
SMILESC=Cc1ccccc1/C=N/S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H15NO2S/c1-2-15-10-6-7-11-16(15)12-17-20(18,19)13-14-8-4-3-5-9-14/h2-12H,1,13H2/b17-12+
InChIKeyNZXYJBHWOXNCJO-SFQUDFHCSA-N
XLogP3.28
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide?
The IUPAC name of (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide (CID 25258180) is (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide.
What is the SMILES notation for (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide?
The canonical SMILES for (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide is C=Cc1ccccc1/C=N/S(=O)(=O)Cc1ccccc1.
What is the InChIKey of (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide?
The InChIKey is NZXYJBHWOXNCJO-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-2-15-10-6-7-11-16(15)12-17-20(18,19)13-14-8-4-3-5-9-14/h2-12H,1,13H2/b17-12+.
What are the key properties of (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide?
(NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide is sourced from PubChem (CID 25258180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).