2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide

C22H19Cl2FN2O4S — CID 43906437

IUPAC2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C22H19Cl2FN2O4S/c1-14(15-2-6-17(25)7-3-15)26-22(28)13-31-21-11-10-19(12-20(21)24)32(29,30)27-18-8-4-16(23)5-9-18/h2-12,14,27H,13H2,1H3,(H,26,28)
InChIKeyNZLSXHBAMQESEJ-UHFFFAOYSA-N
MW497.38 g/mol
LogP5.19
Rot. Bonds8

About 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 43906437) has the molecular formula C22H19Cl2FN2O4S and a molecular weight of 497.38 g/mol. Its IUPAC name is 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID43906437
Molecular FormulaC22H19Cl2FN2O4S
Molecular Weight497.38 g/mol
Exact Mass496.04
IUPAC Name2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C22H19Cl2FN2O4S/c1-14(15-2-6-17(25)7-3-15)26-22(28)13-31-21-11-10-19(12-20(21)24)32(29,30)27-18-8-4-16(23)5-9-18/h2-12,14,27H,13H2,1H3,(H,26,28)
InChIKeyNZLSXHBAMQESEJ-UHFFFAOYSA-N
XLogP5.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.38
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402291
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402279
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906438
N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873751
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401976
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555570
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43906348
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 43906437) is 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NZLSXHBAMQESEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O4S/c1-14(15-2-6-17(25)7-3-15)26-22(28)13-31-21-11-10-19(12-20(21)24)32(29,30)27-18-8-4-16(23)5-9-18/h2-12,14,27H,13H2,1H3,(H,26,28).
What are the key properties of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 497.38 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43906437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).