4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide

C18H21N3O3S — CID 134835090

IUPAC4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-15-6-8-17(9-7-15)25(22,23)20-19-14-16-4-2-3-5-18(16)21-10-12-24-13-11-21/h2-9,14,20H,10-13H2,1H3/b19-14+
InChIKeyYYLHQTRWBRISKR-XMHGGMMESA-N
MW359.45 g/mol
LogP2.14
Rot. Bonds5

About 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide

4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 134835090) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide
PubChem CID134835090
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-15-6-8-17(9-7-15)25(22,23)20-19-14-16-4-2-3-5-18(16)21-10-12-24-13-11-21/h2-9,14,20H,10-13H2,1H3/b19-14+
InChIKeyYYLHQTRWBRISKR-XMHGGMMESA-N
XLogP2.14
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide 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 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide (CID 134835090) is 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is YYLHQTRWBRISKR-XMHGGMMESA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-15-6-8-17(9-7-15)25(22,23)20-19-14-16-4-2-3-5-18(16)21-10-12-24-13-11-21/h2-9,14,20H,10-13H2,1H3/b19-14+.
What are the key properties of 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(2-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 134835090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).