N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride

C13H23ClN2O3S — CID 120717380

IUPACN-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)CCc1ccccc1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-18-11-10-14-8-9-15-19(16,17)12-7-13-5-3-2-4-6-13;/h2-6,14-15H,7-12H2,1H3;1H
InChIKeyIPYXWKPATKCWQK-UHFFFAOYSA-N
MW322.86 g/mol
LogP0.81
Rot. Bonds10

About N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride

N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride (PubChem CID 120717380) has the molecular formula C13H23ClN2O3S and a molecular weight of 322.86 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
PubChem CID120717380
Molecular FormulaC13H23ClN2O3S
Molecular Weight322.86 g/mol
Exact Mass322.11
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)CCc1ccccc1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-18-11-10-14-8-9-15-19(16,17)12-7-13-5-3-2-4-6-13;/h2-6,14-15H,7-12H2,1H3;1H
InChIKeyIPYXWKPATKCWQK-UHFFFAOYSA-N
XLogP0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
CID 83039199
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide;hydrochloride
CID 120717565
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120717566
2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
CID 120717495
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide
CID 113101297
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride (CID 120717380) is N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)CCc1ccccc1.Cl.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride?
The InChIKey is IPYXWKPATKCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S.ClH/c1-18-11-10-14-8-9-15-19(16,17)12-7-13-5-3-2-4-6-13;/h2-6,14-15H,7-12H2,1H3;1H.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride?
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride is sourced from PubChem (CID 120717380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).