5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C13H22ClN3O3S — CID 119500419

IUPAC5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCNC)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-4-16-20(18,19)11-6-5-10(2)12(9-11)13(17)15-8-7-14-3;/h5-6,9,14,16H,4,7-8H2,1-3H3,(H,15,17);1H
InChIKeyLAMAVSLWQLYYJO-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.66
Rot. Bonds7

About 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119500419) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119500419
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCNC)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-4-16-20(18,19)11-6-5-10(2)12(9-11)13(17)15-8-7-14-3;/h5-6,9,14,16H,4,7-8H2,1-3H3,(H,15,17);1H
InChIKeyLAMAVSLWQLYYJO-UHFFFAOYSA-N
XLogP0.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.66
H-Bond Donors ≤ 53
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-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242
N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46448735
2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
CID 119432199

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119500419) is 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCNC)c1.Cl.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is LAMAVSLWQLYYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-4-16-20(18,19)11-6-5-10(2)12(9-11)13(17)15-8-7-14-3;/h5-6,9,14,16H,4,7-8H2,1-3H3,(H,15,17);1H.
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119500419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).