[ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride

C13H24ClN3O2S — CID 120825290

IUPAC[ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride
SMILESCCN(Cc1ccccc1)S(=O)(=O)NCC(C)NC.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-4-16(11-13-8-6-5-7-9-13)19(17,18)15-10-12(2)14-3;/h5-9,12,14-15H,4,10-11H2,1-3H3;1H
InChIKeyVBFSFZWXHQIWTE-UHFFFAOYSA-N
MW321.87 g/mol
LogP1.37
Rot. Bonds8

About [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride

[ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride (PubChem CID 120825290) has the molecular formula C13H24ClN3O2S and a molecular weight of 321.87 g/mol. Its IUPAC name is [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride.

Molecular Properties

Compound Name[ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride
PubChem CID120825290
Molecular FormulaC13H24ClN3O2S
Molecular Weight321.87 g/mol
Exact Mass321.13
IUPAC Name[ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride
SMILESCCN(Cc1ccccc1)S(=O)(=O)NCC(C)NC.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-4-16(11-13-8-6-5-7-9-13)19(17,18)15-10-12(2)14-3;/h5-9,12,14-15H,4,10-11H2,1-3H3;1H
InChIKeyVBFSFZWXHQIWTE-UHFFFAOYSA-N
XLogP1.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;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

1-amino-4-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114814046
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
CID 115302718
1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114813844
[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride
CID 119983312
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
2-[benzyl(ethyl)sulfamoyl]propanoic acid
CID 54947324
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
N-benzyl-N-ethylethenesulfonamide
CID 130543897
1-[3-[[benzyl(ethyl)sulfamoyl]amino]propyl]piperazine;dihydrochloride
CID 119994518
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
3-(diethylsulfamoylamino)butylbenzene
CID 86915461

Frequently Asked Questions

What is the IUPAC name of [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride?
The IUPAC name of [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride (CID 120825290) is [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride.
What is the SMILES notation for [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride?
The canonical SMILES for [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride is CCN(Cc1ccccc1)S(=O)(=O)NCC(C)NC.Cl.
What is the InChIKey of [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride?
The InChIKey is VBFSFZWXHQIWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S.ClH/c1-4-16(11-13-8-6-5-7-9-13)19(17,18)15-10-12(2)14-3;/h5-9,12,14-15H,4,10-11H2,1-3H3;1H.
What are the key properties of [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride?
[ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride has a molecular weight of 321.87 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride is sourced from PubChem (CID 120825290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).