3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

C16H20N2O2S — CID 43587315

IUPAC3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1ccccc1C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C16H20N2O2S/c1-3-18(12-14-8-5-4-7-13(14)2)21(19,20)16-10-6-9-15(17)11-16/h4-11H,3,12,17H2,1-2H3
InChIKeyKJLCZAQXPVAXEF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.79
Rot. Bonds5

About 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 43587315) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID43587315
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1ccccc1C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C16H20N2O2S/c1-3-18(12-14-8-5-4-7-13(14)2)21(19,20)16-10-6-9-15(17)11-16/h4-11H,3,12,17H2,1-2H3
InChIKeyKJLCZAQXPVAXEF-UHFFFAOYSA-N
XLogP2.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]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

N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47267553
(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
CID 7970187
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
3-N-methyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-disulfonamide
CID 31070038
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane
CID 142012161
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698
N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 43459312
3-[4-amino-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 24570485
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 43587315) is 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is CCN(Cc1ccccc1C)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is KJLCZAQXPVAXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-18(12-14-8-5-4-7-13(14)2)21(19,20)16-10-6-9-15(17)11-16/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 43587315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).