N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride

C10H17ClN2O3S — CID 120998864

IUPACN-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C10H16N2O3S.ClH/c1-2-15-9-4-3-5-10(8-9)16(13,14)12-7-6-11;/h3-5,8,12H,2,6-7,11H2,1H3;1H
InChIKeyYGWUNYXMYPWJIU-UHFFFAOYSA-N
MW280.78 g/mol
LogP0.74
Rot. Bonds6

About N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride (PubChem CID 120998864) has the molecular formula C10H17ClN2O3S and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
PubChem CID120998864
Molecular FormulaC10H17ClN2O3S
Molecular Weight280.78 g/mol
Exact Mass280.06
IUPAC NameN-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C10H16N2O3S.ClH/c1-2-15-9-4-3-5-10(8-9)16(13,14)12-7-6-11;/h3-5,8,12H,2,6-7,11H2,1H3;1H
InChIKeyYGWUNYXMYPWJIU-UHFFFAOYSA-N
XLogP0.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride 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-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
CID 119465892
N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide
CID 120998690
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
CID 70646120
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-(4-aminobutyl)-3-ethylbenzenesulfonamide;hydrochloride
CID 120583777
(2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide
CID 124742237

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride (CID 120998864) is N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride is CCOc1cccc(S(=O)(=O)NCCN)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride?
The InChIKey is YGWUNYXMYPWJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S.ClH/c1-2-15-9-4-3-5-10(8-9)16(13,14)12-7-6-11;/h3-5,8,12H,2,6-7,11H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride has a molecular weight of 280.78 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120998864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).