4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride

C13H22ClN3O3S — CID 119960282

IUPAC4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NCCN)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-3-16(4-2)13(17)11-5-7-12(8-6-11)20(18,19)15-10-9-14;/h5-8,15H,3-4,9-10,14H2,1-2H3;1H
InChIKeyHIMQQVYAQYDAQG-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.83
Rot. Bonds7

About 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride

4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride (PubChem CID 119960282) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
PubChem CID119960282
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NCCN)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-3-16(4-2)13(17)11-5-7-12(8-6-11)20(18,19)15-10-9-14;/h5-8,15H,3-4,9-10,14H2,1-2H3;1H
InChIKeyHIMQQVYAQYDAQG-UHFFFAOYSA-N
XLogP0.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
CID 120717557
4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
CID 95341841
N,N-diethyl-4-(methoxysulfamoyl)benzamide
CID 47051185
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
CID 119986423
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101
4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120708563
3-[ethyl-[4-(prop-2-ynylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191082
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)-N-(2-methylpropyl)benzamide
CID 55836803

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride (CID 119960282) is 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(S(=O)(=O)NCCN)cc1.Cl.
What is the InChIKey of 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride?
The InChIKey is HIMQQVYAQYDAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-3-16(4-2)13(17)11-5-7-12(8-6-11)20(18,19)15-10-9-14;/h5-8,15H,3-4,9-10,14H2,1-2H3;1H.
What are the key properties of 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride?
4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119960282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).