N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

C15H16N2O3S — CID 5331359

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12-3-9-15(10-4-12)21(18,19)17-16-11-13-5-7-14(20-2)8-6-13/h3-11,17H,1-2H3/b16-11+
InChIKeyRTARYTGUYUAXBK-LFIBNONCSA-N
MW304.37 g/mol
LogP2.32
Rot. Bonds5

About N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 5331359) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID5331359
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12-3-9-15(10-4-12)21(18,19)17-16-11-13-5-7-14(20-2)8-6-13/h3-11,17H,1-2H3/b16-11+
InChIKeyRTARYTGUYUAXBK-LFIBNONCSA-N
XLogP2.32
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide 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 N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 5331359) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is RTARYTGUYUAXBK-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-3-9-15(10-4-12)21(18,19)17-16-11-13-5-7-14(20-2)8-6-13/h3-11,17H,1-2H3/b16-11+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5331359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).