5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide

C12H21N3O3S — CID 43662895

IUPAC5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C12H21N3O3S/c1-4-18-11-6-5-10(13)9-12(11)19(16,17)14-7-8-15(2)3/h5-6,9,14H,4,7-8,13H2,1-3H3
InChIKeyVOLVCQYMPLSDAR-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.51
Rot. Bonds7

About 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide

5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide (PubChem CID 43662895) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
PubChem CID43662895
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C12H21N3O3S/c1-4-18-11-6-5-10(13)9-12(11)19(16,17)14-7-8-15(2)3/h5-6,9,14H,4,7-8,13H2,1-3H3
InChIKeyVOLVCQYMPLSDAR-UHFFFAOYSA-N
XLogP0.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-(dimethylamino)ethyl]-2-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

5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942
5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231475
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide (CID 43662895) is 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NCCN(C)C.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
The InChIKey is VOLVCQYMPLSDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-18-11-6-5-10(13)9-12(11)19(16,17)14-7-8-15(2)3/h5-6,9,14H,4,7-8,13H2,1-3H3.
What are the key properties of 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 43662895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).