2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide

C22H16Cl2FN3O4S — CID 69018128

IUPAC2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)Cc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F
InChIInChI=1S/C22H16Cl2FN3O4S/c1-27-33(30,31)19-5-3-2-4-18(19)28-20(29)10-14-6-7-17(24)22(21(14)25)32-16-9-13(12-26)8-15(23)11-16/h2-9,11,27H,10H2,1H3,(H,28,29)
InChIKeyIRMWMSSNPSUPGT-UHFFFAOYSA-N
MW508.36 g/mol
LogP4.89
Rot. Bonds7

About 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide

2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide (PubChem CID 69018128) has the molecular formula C22H16Cl2FN3O4S and a molecular weight of 508.36 g/mol. Its IUPAC name is 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide
PubChem CID69018128
Molecular FormulaC22H16Cl2FN3O4S
Molecular Weight508.36 g/mol
Exact Mass507.02
IUPAC Name2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)Cc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F
InChIInChI=1S/C22H16Cl2FN3O4S/c1-27-33(30,31)19-5-3-2-4-18(19)28-20(29)10-14-6-7-17(24)22(21(14)25)32-16-9-13(12-26)8-15(23)11-16/h2-9,11,27H,10H2,1H3,(H,28,29)
InChIKeyIRMWMSSNPSUPGT-UHFFFAOYSA-N
XLogP4.89
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.36
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylbutanamide
CID 11505476
2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide
CID 87760016
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-benzimidazole-2-carboxamide
CID 59451461
3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile
CID 59451640
2-[4-chloro-3-[3-cyano-5-[3-(dimethylamino)prop-1-ynyl]phenoxy]-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079710
2-acetamido-5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68721880
ethyl 2-[4-chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]acetate
CID 66999191
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-3-methyl-1,2-dihydroimidazole-2-carboxamide
CID 71044225
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-5-carboxamide
CID 59451608
5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-2-ethyl-1H-imidazole-4-carboxamide
CID 59451438
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 59451422
2-acetyl-5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68794729

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide (CID 69018128) is 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1ccccc1NC(=O)Cc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F.
What is the InChIKey of 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is IRMWMSSNPSUPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FN3O4S/c1-27-33(30,31)19-5-3-2-4-18(19)28-20(29)10-14-6-7-17(24)22(21(14)25)32-16-9-13(12-26)8-15(23)11-16/h2-9,11,27H,10H2,1H3,(H,28,29).
What are the key properties of 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide?
2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 508.36 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 69018128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).