4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride

C18H30ClN3O3S — CID 119986423

IUPAC4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC2CCCCC2CN)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-3-21(4-2)18(22)14-9-11-16(12-10-14)25(23,24)20-17-8-6-5-7-15(17)13-19;/h9-12,15,17,20H,3-8,13,19H2,1-2H3;1H
InChIKeyXKCPJAZURULQFW-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.39
Rot. Bonds7

About 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride

4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride (PubChem CID 119986423) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
PubChem CID119986423
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC Name4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC2CCCCC2CN)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-3-21(4-2)18(22)14-9-11-16(12-10-14)25(23,24)20-17-8-6-5-7-15(17)13-19;/h9-12,15,17,20H,3-8,13,19H2,1-2H3;1H
InChIKeyXKCPJAZURULQFW-UHFFFAOYSA-N
XLogP2.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;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-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 119986214
N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119985851
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
dimethyl 5-[[2-(aminomethyl)cyclohexyl]sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119986267
N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119985454
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
CID 97056156
4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
CID 119960282
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
CID 119986184
N-[2-(aminomethyl)cyclopentyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
CID 119985886

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride (CID 119986423) is 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(S(=O)(=O)NC2CCCCC2CN)cc1.Cl.
What is the InChIKey of 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride?
The InChIKey is XKCPJAZURULQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-3-21(4-2)18(22)14-9-11-16(12-10-14)25(23,24)20-17-8-6-5-7-15(17)13-19;/h9-12,15,17,20H,3-8,13,19H2,1-2H3;1H.
What are the key properties of 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride?
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119986423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).