2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide

C22H20ClN3O5S — CID 55611031

IUPAC2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1
InChIInChI=1S/C22H20ClN3O5S/c1-26(16-7-9-17(31-2)10-8-16)32(29,30)18-5-3-4-14(12-18)22(28)25-15-6-11-19(21(24)27)20(23)13-15/h3-13H,1-2H3,(H2,24,27)(H,25,28)
InChIKeyUSNCKBSCYIOZLA-UHFFFAOYSA-N
MW473.94 g/mol
LogP3.52
Rot. Bonds7

About 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide

2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide (PubChem CID 55611031) has the molecular formula C22H20ClN3O5S and a molecular weight of 473.94 g/mol. Its IUPAC name is 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
PubChem CID55611031
Molecular FormulaC22H20ClN3O5S
Molecular Weight473.94 g/mol
Exact Mass473.08
IUPAC Name2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1
InChIInChI=1S/C22H20ClN3O5S/c1-26(16-7-9-17(31-2)10-8-16)32(29,30)18-5-3-4-14(12-18)22(28)25-15-6-11-19(21(24)27)20(23)13-15/h3-13H,1-2H3,(H2,24,27)(H,25,28)
InChIKeyUSNCKBSCYIOZLA-UHFFFAOYSA-N
XLogP3.52
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]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

2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55611308
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087855
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 2553279
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 100625550
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55655520
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide (CID 55611031) is 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1.
What is the InChIKey of 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide?
The InChIKey is USNCKBSCYIOZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O5S/c1-26(16-7-9-17(31-2)10-8-16)32(29,30)18-5-3-4-14(12-18)22(28)25-15-6-11-19(21(24)27)20(23)13-15/h3-13H,1-2H3,(H2,24,27)(H,25,28).
What are the key properties of 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide?
2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide has a molecular weight of 473.94 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 55611031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).