4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide

C19H25ClN2O3S — CID 55682227

IUPAC4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1Cl
InChIInChI=1S/C19H25ClN2O3S/c1-4-22(15-16-7-5-6-8-19(16)20)13-14-25-17-9-11-18(12-10-17)26(23,24)21(2)3/h5-12H,4,13-15H2,1-3H3
InChIKeyYNBISAFUOGDZEF-UHFFFAOYSA-N
MW396.94 g/mol
LogP3.49
Rot. Bonds9

About 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide

4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 55682227) has the molecular formula C19H25ClN2O3S and a molecular weight of 396.94 g/mol. Its IUPAC name is 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID55682227
Molecular FormulaC19H25ClN2O3S
Molecular Weight396.94 g/mol
Exact Mass396.13
IUPAC Name4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1Cl
InChIInChI=1S/C19H25ClN2O3S/c1-4-22(15-16-7-5-6-8-19(16)20)13-14-25-17-9-11-18(12-10-17)26(23,24)21(2)3/h5-12H,4,13-15H2,1-3H3
InChIKeyYNBISAFUOGDZEF-UHFFFAOYSA-N
XLogP3.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide 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-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24649082
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
2-(4-bromophenoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 60646418
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
N-(2,6-dichlorophenyl)-2-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl-methylamino]acetamide
CID 17425916
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
N,N-dimethyl-4-[2-[methyl(naphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 60572938
4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 32517776
4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 55565091

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide (CID 55682227) is 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide is CCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1Cl.
What is the InChIKey of 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is YNBISAFUOGDZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3S/c1-4-22(15-16-7-5-6-8-19(16)20)13-14-25-17-9-11-18(12-10-17)26(23,24)21(2)3/h5-12H,4,13-15H2,1-3H3.
What are the key properties of 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide?
4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 396.94 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 55682227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).