N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride

C17H31ClN2O4S — CID 119992308

IUPACN-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C17H30N2O4S.ClH/c1-5-22-12-13-23-15-6-8-16(9-7-15)24(20,21)19(4)11-10-17(18)14(2)3;/h6-9,14,17H,5,10-13,18H2,1-4H3;1H
InChIKeyAREMJAOVWDGAOM-UHFFFAOYSA-N
MW394.97 g/mol
LogP2.52
Rot. Bonds11

About N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119992308) has the molecular formula C17H31ClN2O4S and a molecular weight of 394.97 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119992308
Molecular FormulaC17H31ClN2O4S
Molecular Weight394.97 g/mol
Exact Mass394.17
IUPAC NameN-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C17H30N2O4S.ClH/c1-5-22-12-13-23-15-6-8-16(9-7-15)24(20,21)19(4)11-10-17(18)14(2)3;/h6-9,14,17H,5,10-13,18H2,1-4H3;1H
InChIKeyAREMJAOVWDGAOM-UHFFFAOYSA-N
XLogP2.52
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;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-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide
CID 119991812
4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide
CID 119992307
2-[4-[2-ethoxyethyl(methyl)sulfamoyl]phenoxy]acetic acid
CID 81036384
N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
CID 119660473
4-(2-aminoethoxy)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064529
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride (CID 119992308) is N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride is CCOCCOc1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is AREMJAOVWDGAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4S.ClH/c1-5-22-12-13-23-15-6-8-16(9-7-15)24(20,21)19(4)11-10-17(18)14(2)3;/h6-9,14,17H,5,10-13,18H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 394.97 g/mol, XLogP of 2.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119992308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).