N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide

C24H28N2O2S — CID 71584277

IUPACN-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O2S/c1-4-25(5-2)22-17-13-21(14-18-22)19-26(23-15-11-20(3)12-16-23)29(27,28)24-9-7-6-8-10-24/h6-18H,4-5,19H2,1-3H3
InChIKeyQZZGNGJACXGZKQ-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.24
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide

N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 71584277) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID71584277
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O2S/c1-4-25(5-2)22-17-13-21(14-18-22)19-26(23-15-11-20(3)12-16-23)29(27,28)24-9-7-6-8-10-24/h6-18H,4-5,19H2,1-3H3
InChIKeyQZZGNGJACXGZKQ-UHFFFAOYSA-N
XLogP5.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)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 N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide (CID 71584277) is N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide is CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is QZZGNGJACXGZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-4-25(5-2)22-17-13-21(14-18-22)19-26(23-15-11-20(3)12-16-23)29(27,28)24-9-7-6-8-10-24/h6-18H,4-5,19H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide?
N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 408.57 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 71584277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).