4-[2-(benzhydrylamino)ethyl]benzenesulfonamide

C21H22N2O2S — CID 7998765

IUPAC4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2S/c22-26(24,25)20-13-11-17(12-14-20)15-16-23-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21,23H,15-16H2,(H2,22,24,25)
InChIKeyLAUWEQPTUKJGEO-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.26
Rot. Bonds7

About 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide

4-[2-(benzhydrylamino)ethyl]benzenesulfonamide (PubChem CID 7998765) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
PubChem CID7998765
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2S/c22-26(24,25)20-13-11-17(12-14-20)15-16-23-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21,23H,15-16H2,(H2,22,24,25)
InChIKeyLAUWEQPTUKJGEO-UHFFFAOYSA-N
XLogP3.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid
CID 115353272
1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51131161
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 92509537
N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4848816
2-methyl-1-(1-phenylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 110948985
4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
CID 54931498
methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate
CID 115353271
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
CID 5194103
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide (CID 7998765) is 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide?
The InChIKey is LAUWEQPTUKJGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c22-26(24,25)20-13-11-17(12-14-20)15-16-23-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21,23H,15-16H2,(H2,22,24,25).
What are the key properties of 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide?
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide has a molecular weight of 366.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzhydrylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 7998765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).