(NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide

C15H15NO3S — CID 10924221

IUPAC(NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(17,18)16-11-13-5-3-4-6-15(13)19-2/h3-11H,1-2H3/b16-11+
InChIKeyRGUIVBCTCKGIFN-LFIBNONCSA-N
MW289.36 g/mol
LogP2.81
Rot. Bonds4

About (NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide

(NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 10924221) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID10924221
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(17,18)16-11-13-5-3-4-6-15(13)19-2/h3-11H,1-2H3/b16-11+
InChIKeyRGUIVBCTCKGIFN-LFIBNONCSA-N
XLogP2.81
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide (CID 10924221) is (NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide is COc1ccccc1/C=N/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is RGUIVBCTCKGIFN-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(17,18)16-11-13-5-3-4-6-15(13)19-2/h3-11H,1-2H3/b16-11+.
What are the key properties of (NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10924221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).