N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide

C12H20N2O3S — CID 7528966

IUPACN-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-17-11-5-7-12(8-6-11)18(15,16)13-9-10-14(2)3/h5-8,13H,4,9-10H2,1-3H3
InChIKeyCHLJBNZPFONSOL-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.93
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide (PubChem CID 7528966) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
PubChem CID7528966
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-17-11-5-7-12(8-6-11)18(15,16)13-9-10-14(2)3/h5-8,13H,4,9-10H2,1-3H3
InChIKeyCHLJBNZPFONSOL-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide 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-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide
CID 113068111
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113065559
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide
CID 2197976
4-ethoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8843143
N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113058068

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide (CID 7528966) is N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCN(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide?
The InChIKey is CHLJBNZPFONSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-17-11-5-7-12(8-6-11)18(15,16)13-9-10-14(2)3/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 7528966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).