2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C21H15Cl2F3N2O4S — CID 126397966

IUPAC2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H15Cl2F3N2O4S/c22-14-2-4-15(5-3-14)28-33(30,31)17-8-6-16(7-9-17)32-12-20(29)27-19-11-13(21(24,25)26)1-10-18(19)23/h1-11,28H,12H2,(H,27,29)
InChIKeyWMJNQETZJKRJHX-UHFFFAOYSA-N
MW519.33 g/mol
LogP5.83
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 126397966) has the molecular formula C21H15Cl2F3N2O4S and a molecular weight of 519.33 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID126397966
Molecular FormulaC21H15Cl2F3N2O4S
Molecular Weight519.33 g/mol
Exact Mass518.01
IUPAC Name2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H15Cl2F3N2O4S/c22-14-2-4-15(5-3-14)28-33(30,31)17-8-6-16(7-9-17)32-12-20(29)27-19-11-13(21(24,25)26)1-10-18(19)23/h1-11,28H,12H2,(H,27,29)
InChIKeyWMJNQETZJKRJHX-UHFFFAOYSA-N
XLogP5.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.33
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5139046
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388597
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873449
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 2981886
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126393495
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propylphenoxy)acetamide
CID 19172179
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23101443
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 92649043
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 126397966) is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WMJNQETZJKRJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N2O4S/c22-14-2-4-15(5-3-14)28-33(30,31)17-8-6-16(7-9-17)32-12-20(29)27-19-11-13(21(24,25)26)1-10-18(19)23/h1-11,28H,12H2,(H,27,29).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 519.33 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126397966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).