N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide

C18H24N2O3S — CID 113241834

IUPACN-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(CNC)ccc1OC
InChIInChI=1S/C18H24N2O3S/c1-4-20(14-15-8-6-5-7-9-15)24(21,22)18-12-16(13-19-2)10-11-17(18)23-3/h5-12,19H,4,13-14H2,1-3H3
InChIKeyQAEXSPYVZLBFGB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.63
Rot. Bonds8

About N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide

N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 113241834) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
PubChem CID113241834
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(CNC)ccc1OC
InChIInChI=1S/C18H24N2O3S/c1-4-20(14-15-8-6-5-7-9-15)24(21,22)18-12-16(13-19-2)10-11-17(18)23-3/h5-12,19H,4,13-14H2,1-3H3
InChIKeyQAEXSPYVZLBFGB-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)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-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
CID 102704691
3-[benzyl(ethyl)sulfamoyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 2712878
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801338
N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide
CID 2899093
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
N-benzyl-5-(hydroxymethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 113241762
N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 120584229
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide (CID 113241834) is N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cc(CNC)ccc1OC.
What is the InChIKey of N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is QAEXSPYVZLBFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-20(14-15-8-6-5-7-9-15)24(21,22)18-12-16(13-19-2)10-11-17(18)23-3/h5-12,19H,4,13-14H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide?
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 113241834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).