5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride

C13H22ClN3O4S — CID 120717421

IUPAC5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1.Cl
InChIInChI=1S/C13H21N3O4S.ClH/c1-10-3-4-11(9-12(10)13(14)17)21(18,19)16-6-5-15-7-8-20-2;/h3-4,9,15-16H,5-8H2,1-2H3,(H2,14,17);1H
InChIKeySDJVHKUKZKEQCF-UHFFFAOYSA-N
MW351.86 g/mol
LogP0.03
Rot. Bonds9

About 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride

5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride (PubChem CID 120717421) has the molecular formula C13H22ClN3O4S and a molecular weight of 351.86 g/mol. Its IUPAC name is 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
PubChem CID120717421
Molecular FormulaC13H22ClN3O4S
Molecular Weight351.86 g/mol
Exact Mass351.10
IUPAC Name5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1.Cl
InChIInChI=1S/C13H21N3O4S.ClH/c1-10-3-4-11(9-12(10)13(14)17)21(18,19)16-6-5-15-7-8-20-2;/h3-4,9,15-16H,5-8H2,1-2H3,(H2,14,17);1H
InChIKeySDJVHKUKZKEQCF-UHFFFAOYSA-N
XLogP0.03
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
CID 104593933
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
3-N-[2-(2-methoxyethylamino)ethyl]benzene-1,3-disulfonamide
CID 83036725
2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
CID 43606850
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
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride (CID 120717421) is 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1.Cl.
What is the InChIKey of 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride?
The InChIKey is SDJVHKUKZKEQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S.ClH/c1-10-3-4-11(9-12(10)13(14)17)21(18,19)16-6-5-15-7-8-20-2;/h3-4,9,15-16H,5-8H2,1-2H3,(H2,14,17);1H.
What are the key properties of 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride?
5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride has a molecular weight of 351.86 g/mol, XLogP of 0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120717421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).