3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide

C22H21ClN2O4S — CID 26903815

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-25(19-9-6-8-18(23)16-19)30(27,28)21-12-5-7-17(15-21)22(26)24-13-14-29-20-10-3-2-4-11-20/h2-12,15-16H,13-14H2,1H3,(H,24,26)
InChIKeyJPLFBTGYWNZOLG-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.97
Rot. Bonds8

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

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide (PubChem CID 26903815) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
PubChem CID26903815
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-25(19-9-6-8-18(23)16-19)30(27,28)21-12-5-7-17(15-21)22(26)24-13-14-29-20-10-3-2-4-11-20/h2-12,15-16H,13-14H2,1H3,(H,24,26)
InChIKeyJPLFBTGYWNZOLG-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide 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-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446007
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626
methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31839813
N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 27861724
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 112767820

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide (CID 26903815) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide?
The InChIKey is JPLFBTGYWNZOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-25(19-9-6-8-18(23)16-19)30(27,28)21-12-5-7-17(15-21)22(26)24-13-14-29-20-10-3-2-4-11-20/h2-12,15-16H,13-14H2,1H3,(H,24,26).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide has a molecular weight of 444.94 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 26903815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).