3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C13H20ClN3O3S — CID 119500565

IUPAC3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-14-7-8-15-13(17)10-3-2-4-12(9-10)20(18,19)16-11-5-6-11;/h2-4,9,11,14,16H,5-8H2,1H3,(H,15,17);1H
InChIKeyVJKFYLQWCLWKTC-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.50
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride

3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119500565) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119500565
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-14-7-8-15-13(17)10-3-2-4-12(9-10)20(18,19)16-11-5-6-11;/h2-4,9,11,14,16H,5-8H2,1H3,(H,15,17);1H
InChIKeyVJKFYLQWCLWKTC-UHFFFAOYSA-N
XLogP0.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]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

3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27174310
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide
CID 74243722
3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716024
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119521902
3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041364
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119500565) is 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.Cl.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is VJKFYLQWCLWKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c1-14-7-8-15-13(17)10-3-2-4-12(9-10)20(18,19)16-11-5-6-11;/h2-4,9,11,14,16H,5-8H2,1H3,(H,15,17);1H.
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119500565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).