4-[(4-ethylphenyl)methylamino]benzenesulfonamide

C15H18N2O2S — CID 834409

IUPAC4-[(4-ethylphenyl)methylamino]benzenesulfonamide
SMILESCCc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-12-3-5-13(6-4-12)11-17-14-7-9-15(10-8-14)20(16,18)19/h3-10,17H,2,11H2,1H3,(H2,16,18,19)
InChIKeyJMAMKDRLJUPJBE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.51
Rot. Bonds5

About 4-[(4-ethylphenyl)methylamino]benzenesulfonamide

4-[(4-ethylphenyl)methylamino]benzenesulfonamide (PubChem CID 834409) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methylamino]benzenesulfonamide
PubChem CID834409
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[(4-ethylphenyl)methylamino]benzenesulfonamide
SMILESCCc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-12-3-5-13(6-4-12)11-17-14-7-9-15(10-8-14)20(16,18)19/h3-10,17H,2,11H2,1H3,(H2,16,18,19)
InChIKeyJMAMKDRLJUPJBE-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-ethylphenyl)methylamino]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

4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-[(4-sulfamoylphenyl)methylamino]benzenecarbothioamide
CID 29295496
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
3-methyl-5-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide
CID 167881522
N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
2-[4-[(4-ethylphenyl)methylamino]phenyl]acetamide
CID 43724073
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
4-[(4-propylsulfonylanilino)methyl]aniline
CID 60874910
N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 106900182
3-[(4-methylsulfonylphenyl)methylamino]benzenesulfonamide
CID 167770306
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide
CID 62124000

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(4-ethylphenyl)methylamino]benzenesulfonamide (CID 834409) is 4-[(4-ethylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-ethylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-ethylphenyl)methylamino]benzenesulfonamide is CCc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methylamino]benzenesulfonamide?
The InChIKey is JMAMKDRLJUPJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-12-3-5-13(6-4-12)11-17-14-7-9-15(10-8-14)20(16,18)19/h3-10,17H,2,11H2,1H3,(H2,16,18,19).
What are the key properties of 4-[(4-ethylphenyl)methylamino]benzenesulfonamide?
4-[(4-ethylphenyl)methylamino]benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 834409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).