N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride

C19H26ClN3O3S — CID 119383856

IUPACN-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCN)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-2-3-14-22(17-9-5-4-6-10-17)26(24,25)18-11-7-8-16(15-18)19(23)21-13-12-20;/h4-11,15H,2-3,12-14,20H2,1H3,(H,21,23);1H
InChIKeyUWHRUFGPDNSFDM-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.79
Rot. Bonds9

About N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride

N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119383856) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119383856
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCN)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-2-3-14-22(17-9-5-4-6-10-17)26(24,25)18-11-7-8-16(15-18)19(23)21-13-12-20;/h4-11,15H,2-3,12-14,20H2,1H3,(H,21,23);1H
InChIKeyUWHRUFGPDNSFDM-UHFFFAOYSA-N
XLogP2.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide
CID 119502227
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 119405879
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
[(2S)-1-amino-1-oxopropan-2-yl] 3-[butyl(phenyl)sulfamoyl]benzoate
CID 2577928
3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 31281999
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 27897925
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55510278
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55889436
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride (CID 119383856) is N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride is CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCN)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is UWHRUFGPDNSFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-2-3-14-22(17-9-5-4-6-10-17)26(24,25)18-11-7-8-16(15-18)19(23)21-13-12-20;/h4-11,15H,2-3,12-14,20H2,1H3,(H,21,23);1H.
What are the key properties of N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride?
N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119383856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).