2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide

C23H23Cl2N3O5S2 — CID 100791984

IUPAC2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H23Cl2N3O5S2/c1-16-7-10-20(34(30,31)26-2)13-22(16)27-23(29)15-28(14-17-5-3-4-6-21(17)25)35(32,33)19-11-8-18(24)9-12-19/h3-13,26H,14-15H2,1-2H3,(H,27,29)
InChIKeyASCKJLGDJSOXSM-UHFFFAOYSA-N
MW556.49 g/mol
LogP4.04
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide

2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide (PubChem CID 100791984) has the molecular formula C23H23Cl2N3O5S2 and a molecular weight of 556.49 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
PubChem CID100791984
Molecular FormulaC23H23Cl2N3O5S2
Molecular Weight556.49 g/mol
Exact Mass555.05
IUPAC Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H23Cl2N3O5S2/c1-16-7-10-20(34(30,31)26-2)13-22(16)27-23(29)15-28(14-17-5-3-4-6-21(17)25)35(32,33)19-11-8-18(24)9-12-19/h3-13,26H,14-15H2,1-2H3,(H,27,29)
InChIKeyASCKJLGDJSOXSM-UHFFFAOYSA-N
XLogP4.04
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 126201169
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126070281
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100789963
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069248
N-(3-chloro-4-methylphenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069656
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 126069329
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 28545696
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23737822
N-(2,5-dimethylphenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126068160
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100793293
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100790047
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide (CID 100791984) is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is ASCKJLGDJSOXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O5S2/c1-16-7-10-20(34(30,31)26-2)13-22(16)27-23(29)15-28(14-17-5-3-4-6-21(17)25)35(32,33)19-11-8-18(24)9-12-19/h3-13,26H,14-15H2,1-2H3,(H,27,29).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 556.49 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 100791984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).