3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide

C18H22ClN3O3S — CID 119505867

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-3-20-10-11-21-18(23)14-6-4-9-17(12-14)26(24,25)22(2)16-8-5-7-15(19)13-16/h4-9,12-13,20H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyAXDHDAWRUFYBRW-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.50
Rot. Bonds8

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide (PubChem CID 119505867) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
PubChem CID119505867
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-3-20-10-11-21-18(23)14-6-4-9-17(12-14)26(24,25)22(2)16-8-5-7-15(19)13-16/h4-9,12-13,20H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyAXDHDAWRUFYBRW-UHFFFAOYSA-N
XLogP2.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446007
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]benzamide
CID 24613023
[2-oxo-2-(propylamino)ethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 16535046
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 112767820
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859038

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide (CID 119505867) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide is CCNCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide?
The InChIKey is AXDHDAWRUFYBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-3-20-10-11-21-18(23)14-6-4-9-17(12-14)26(24,25)22(2)16-8-5-7-15(19)13-16/h4-9,12-13,20H,3,10-11H2,1-2H3,(H,21,23).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide has a molecular weight of 395.91 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide is sourced from PubChem (CID 119505867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).