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

C15H15NO3S — CID 766935

IUPACN-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C=NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-11H,1-2H3
InChIKeyNMFPHUIOZBSQGW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.81
Rot. Bonds4

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

N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 766935) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID766935
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C=NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-11H,1-2H3
InChIKeyNMFPHUIOZBSQGW-UHFFFAOYSA-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 N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide (CID 766935) is N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide is COc1ccc(C=NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is NMFPHUIOZBSQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-11H,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
N-[(4-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 N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 766935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).