N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride

C15H27ClN2O3S — CID 120717422

IUPACN-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(CC(C)C)cc1.Cl
InChIInChI=1S/C15H26N2O3S.ClH/c1-13(2)12-14-4-6-15(7-5-14)21(18,19)17-9-8-16-10-11-20-3;/h4-7,13,16-17H,8-12H2,1-3H3;1H
InChIKeyMXYOOAUYXXARTA-UHFFFAOYSA-N
MW350.91 g/mol
LogP1.82
Rot. Bonds10

About N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride

N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride (PubChem CID 120717422) has the molecular formula C15H27ClN2O3S and a molecular weight of 350.91 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
PubChem CID120717422
Molecular FormulaC15H27ClN2O3S
Molecular Weight350.91 g/mol
Exact Mass350.14
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(CC(C)C)cc1.Cl
InChIInChI=1S/C15H26N2O3S.ClH/c1-13(2)12-14-4-6-15(7-5-14)21(18,19)17-9-8-16-10-11-20-3;/h4-7,13,16-17H,8-12H2,1-3H3;1H
InChIKeyMXYOOAUYXXARTA-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.91
LogP ≤ 51.82
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

4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
4-(cyanomethyl)-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039708
N-[2-(2-methoxyethylamino)ethyl]-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 120717957
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 119965037
4-N-cyclopropyl-1-N-[2-(2-methoxyethylamino)ethyl]benzene-1,4-disulfonamide
CID 120717416
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120717803
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride (CID 120717422) is N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccc(CC(C)C)cc1.Cl.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride?
The InChIKey is MXYOOAUYXXARTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S.ClH/c1-13(2)12-14-4-6-15(7-5-14)21(18,19)17-9-8-16-10-11-20-3;/h4-7,13,16-17H,8-12H2,1-3H3;1H.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride?
N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride has a molecular weight of 350.91 g/mol, XLogP of 1.82, 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]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).