2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide

C23H23Cl2N3O6S2 — CID 43875173

IUPAC2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1
InChIInChI=1S/C23H23Cl2N3O6S2/c1-28(2)36(32,33)19-9-3-16(4-10-19)14-26-23(29)15-34-22-12-11-20(13-21(22)25)35(30,31)27-18-7-5-17(24)6-8-18/h3-13,27H,14-15H2,1-2H3,(H,26,29)
InChIKeyCAKNYHRMPPIDJF-UHFFFAOYSA-N
MW572.49 g/mol
LogP3.74
Rot. Bonds10

About 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide

2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 43875173) has the molecular formula C23H23Cl2N3O6S2 and a molecular weight of 572.49 g/mol. Its IUPAC name is 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID43875173
Molecular FormulaC23H23Cl2N3O6S2
Molecular Weight572.49 g/mol
Exact Mass571.04
IUPAC Name2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1
InChIInChI=1S/C23H23Cl2N3O6S2/c1-28(2)36(32,33)19-9-3-16(4-10-19)14-26-23(29)15-34-22-12-11-20(13-21(22)25)35(30,31)27-18-7-5-17(24)6-8-18/h3-13,27H,14-15H2,1-2H3,(H,26,29)
InChIKeyCAKNYHRMPPIDJF-UHFFFAOYSA-N
XLogP3.74
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43875156
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 43875130
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide
CID 100800120
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906437
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906438
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402279
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 55693778
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide (CID 43875173) is 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1.
What is the InChIKey of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is CAKNYHRMPPIDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O6S2/c1-28(2)36(32,33)19-9-3-16(4-10-19)14-26-23(29)15-34-22-12-11-20(13-21(22)25)35(30,31)27-18-7-5-17(24)6-8-18/h3-13,27H,14-15H2,1-2H3,(H,26,29).
What are the key properties of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 572.49 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 43875173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).