5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride

C19H26ClN3O3S — CID 119432113

IUPAC5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-15-9-10-17(13-18(15)19(23)21-12-6-11-20-2)26(24,25)22-14-16-7-4-3-5-8-16;/h3-5,7-10,13,20,22H,6,11-12,14H2,1-2H3,(H,21,23);1H
InChIKeyKWSXIFYGRYLTDE-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.23
Rot. Bonds9

About 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride

5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 119432113) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
PubChem CID119432113
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-15-9-10-17(13-18(15)19(23)21-12-6-11-20-2)26(24,25)22-14-16-7-4-3-5-8-16;/h3-5,7-10,13,20,22H,6,11-12,14H2,1-2H3,(H,21,23);1H
InChIKeyKWSXIFYGRYLTDE-UHFFFAOYSA-N
XLogP2.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.23
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

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5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
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5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
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2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
CID 119432199
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CID 33305075
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
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CID 46554762
5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27859379
5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 55948933
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CID 30281742
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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride (CID 119432113) is 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride is CNCCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.Cl.
What is the InChIKey of 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is KWSXIFYGRYLTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-15-9-10-17(13-18(15)19(23)21-12-6-11-20-2)26(24,25)22-14-16-7-4-3-5-8-16;/h3-5,7-10,13,20,22H,6,11-12,14H2,1-2H3,(H,21,23);1H.
What are the key properties of 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119432113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).