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

C15H27ClN2O3S — CID 120717880

IUPAC4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCCNCCOC)cc1.Cl
InChIInChI=1S/C15H26N2O3S.ClH/c1-4-13(2)14-5-7-15(8-6-14)21(18,19)17-10-9-16-11-12-20-3;/h5-8,13,16-17H,4,9-12H2,1-3H3;1H
InChIKeyYDIMDEUPQQLDHL-UHFFFAOYSA-N
MW350.91 g/mol
LogP2.14
Rot. Bonds10

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

4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120717880) has the molecular formula C15H27ClN2O3S and a molecular weight of 350.91 g/mol. Its IUPAC name is 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120717880
Molecular FormulaC15H27ClN2O3S
Molecular Weight350.91 g/mol
Exact Mass350.14
IUPAC Name4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCCNCCOC)cc1.Cl
InChIInChI=1S/C15H26N2O3S.ClH/c1-4-13(2)14-5-7-15(8-6-14)21(18,19)17-10-9-16-11-12-20-3;/h5-8,13,16-17H,4,9-12H2,1-3H3;1H
InChIKeyYDIMDEUPQQLDHL-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;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

4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120717422
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-[2-(2-methoxyethylamino)ethyl]-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 120717957
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
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-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
4-(cyanomethyl)-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039708
N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
CID 120717557
4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide
CID 55352634

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120717880) is 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is CCC(C)c1ccc(S(=O)(=O)NCCNCCOC)cc1.Cl.
What is the InChIKey of 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is YDIMDEUPQQLDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S.ClH/c1-4-13(2)14-5-7-15(8-6-14)21(18,19)17-10-9-16-11-12-20-3;/h5-8,13,16-17H,4,9-12H2,1-3H3;1H.
What are the key properties of 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 350.91 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).