4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride

C13H21Cl2N3O4S — CID 119763146

IUPAC4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
SMILESCCS(=O)(=O)NCCCNC(=O)c1cc(Cl)c(N)cc1OC.Cl
InChIInChI=1S/C13H20ClN3O4S.ClH/c1-3-22(19,20)17-6-4-5-16-13(18)9-7-10(14)11(15)8-12(9)21-2;/h7-8,17H,3-6,15H2,1-2H3,(H,16,18);1H
InChIKeyUIYUQTQCJALBEW-UHFFFAOYSA-N
MW386.30 g/mol
LogP1.41
Rot. Bonds8

About 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride

4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride (PubChem CID 119763146) has the molecular formula C13H21Cl2N3O4S and a molecular weight of 386.30 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
PubChem CID119763146
Molecular FormulaC13H21Cl2N3O4S
Molecular Weight386.30 g/mol
Exact Mass385.06
IUPAC Name4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
SMILESCCS(=O)(=O)NCCCNC(=O)c1cc(Cl)c(N)cc1OC.Cl
InChIInChI=1S/C13H20ClN3O4S.ClH/c1-3-22(19,20)17-6-4-5-16-13(18)9-7-10(14)11(15)8-12(9)21-2;/h7-8,17H,3-6,15H2,1-2H3,(H,16,18);1H
InChIKeyUIYUQTQCJALBEW-UHFFFAOYSA-N
XLogP1.41
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;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

4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 122080182
4-amino-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxybenzamide
CID 119681221
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
4-amino-5-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methoxybenzamide
CID 119901818
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
4-amino-5-chloro-2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 119760302
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride (CID 119763146) is 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride is CCS(=O)(=O)NCCCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.
What is the InChIKey of 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride?
The InChIKey is UIYUQTQCJALBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O4S.ClH/c1-3-22(19,20)17-6-4-5-16-13(18)9-7-10(14)11(15)8-12(9)21-2;/h7-8,17H,3-6,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride?
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride has a molecular weight of 386.30 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119763146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).