methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate

C16H14Cl2N2O6S — CID 12818267

IUPACmethyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O6S/c1-25-16(22)20-27(23,24)14-4-2-12(3-5-14)19-15(21)9-26-13-7-10(17)6-11(18)8-13/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyIZAJBHQZQNCLOX-UHFFFAOYSA-N
MW433.27 g/mol
LogP3.06
Rot. Bonds6

About methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate

methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate (PubChem CID 12818267) has the molecular formula C16H14Cl2N2O6S and a molecular weight of 433.27 g/mol. Its IUPAC name is methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate
PubChem CID12818267
Molecular FormulaC16H14Cl2N2O6S
Molecular Weight433.27 g/mol
Exact Mass431.99
IUPAC Namemethyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O6S/c1-25-16(22)20-27(23,24)14-4-2-12(3-5-14)19-15(21)9-26-13-7-10(17)6-11(18)8-13/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyIZAJBHQZQNCLOX-UHFFFAOYSA-N
XLogP3.06
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4-[[2-(5-chloro-2-methylphenoxy)acetyl]amino]phenyl]sulfonylcarbamate
CID 137373673
methyl N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]sulfonylcarbamate
CID 25120990
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3539926
2-(3-chlorophenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638123
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2632951
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 94783611
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
2-(4-chloro-3-methylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3543968
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate?
The IUPAC name of methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate (CID 12818267) is methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate?
The canonical SMILES for methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate is COC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate?
The InChIKey is IZAJBHQZQNCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O6S/c1-25-16(22)20-27(23,24)14-4-2-12(3-5-14)19-15(21)9-26-13-7-10(17)6-11(18)8-13/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate?
methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate has a molecular weight of 433.27 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[2-(3,5-dichlorophenoxy)acetyl]amino]phenyl]sulfonylcarbamate is sourced from PubChem (CID 12818267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).