3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C18H24ClN3O3S — CID 119503479

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13-7-8-14(2)17(11-13)25(23,24)21-16-6-4-5-15(12-16)18(22)20-10-9-19-3;/h4-8,11-12,19,21H,9-10H2,1-3H3,(H,20,22);1H
InChIKeyDGQUNZQXGWBFAE-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.48
Rot. Bonds7

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119503479) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119503479
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13-7-8-14(2)17(11-13)25(23,24)21-16-6-4-5-15(12-16)18(22)20-10-9-19-3;/h4-8,11-12,19,21H,9-10H2,1-3H3,(H,20,22);1H
InChIKeyDGQUNZQXGWBFAE-UHFFFAOYSA-N
XLogP2.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.48
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

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518
N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide
CID 32914434
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
CID 95783231
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide
CID 119433918
N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31265126
3-[(2,5-dimethylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848651
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119503479) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1.Cl.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is DGQUNZQXGWBFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-13-7-8-14(2)17(11-13)25(23,24)21-16-6-4-5-15(12-16)18(22)20-10-9-19-3;/h4-8,11-12,19,21H,9-10H2,1-3H3,(H,20,22);1H.
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119503479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).