ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride

C16H27ClN2O4S — CID 119992233

IUPACethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O4S.ClH/c1-5-22-16(19)13-6-8-14(9-7-13)23(20,21)18(4)11-10-15(17)12(2)3;/h6-9,12,15H,5,10-11,17H2,1-4H3;1H
InChIKeyJDZRUWNCGKDQPP-UHFFFAOYSA-N
MW378.92 g/mol
LogP2.28
Rot. Bonds8

About ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride

ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride (PubChem CID 119992233) has the molecular formula C16H27ClN2O4S and a molecular weight of 378.92 g/mol. Its IUPAC name is ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
PubChem CID119992233
Molecular FormulaC16H27ClN2O4S
Molecular Weight378.92 g/mol
Exact Mass378.14
IUPAC Nameethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O4S.ClH/c1-5-22-16(19)13-6-8-14(9-7-13)23(20,21)18(4)11-10-15(17)12(2)3;/h6-9,12,15H,5,10-11,17H2,1-4H3;1H
InChIKeyJDZRUWNCGKDQPP-UHFFFAOYSA-N
XLogP2.28
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.92
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;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)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide
CID 119992307
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride
CID 119992308
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
ethyl 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 43574674
ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
CID 17465115
ethyl 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]benzoate
CID 75443991
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
CID 119658419
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride?
The IUPAC name of ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride (CID 119992233) is ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride?
The canonical SMILES for ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride is CCOC(=O)c1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.Cl.
What is the InChIKey of ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride?
The InChIKey is JDZRUWNCGKDQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S.ClH/c1-5-22-16(19)13-6-8-14(9-7-13)23(20,21)18(4)11-10-15(17)12(2)3;/h6-9,12,15H,5,10-11,17H2,1-4H3;1H.
What are the key properties of ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride?
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride has a molecular weight of 378.92 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 119992233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).