N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride

C14H24ClN3O3S — CID 119431070

IUPACN-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NCCCNC)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-3-11-21(19,20)17-13-7-5-12(6-8-13)14(18)16-10-4-9-15-2;/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,16,18);1H
InChIKeyWKUIARJORFWWAU-UHFFFAOYSA-N
MW349.88 g/mol
LogP1.60
Rot. Bonds9

About N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride

N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride (PubChem CID 119431070) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride
PubChem CID119431070
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC NameN-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NCCCNC)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-3-11-21(19,20)17-13-7-5-12(6-8-13)14(18)16-10-4-9-15-2;/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,16,18);1H
InChIKeyWKUIARJORFWWAU-UHFFFAOYSA-N
XLogP1.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119528189
N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
CID 67849300
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
ethyl [4-[3-[[4-(methanesulfonamido)benzoyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932294
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
4-(ethylsulfonylamino)-N-[3-(triazol-1-yl)propyl]benzamide
CID 135103024
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
CID 62180515
N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 119432618

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride (CID 119431070) is N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(C(=O)NCCCNC)cc1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride?
The InChIKey is WKUIARJORFWWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-3-11-21(19,20)17-13-7-5-12(6-8-13)14(18)16-10-4-9-15-2;/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride?
N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119431070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).