2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide

C21H18ClFN2O4S — CID 3969964

IUPAC2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C21H18ClFN2O4S/c22-19-12-18(30(27,28)24-13-15-4-2-1-3-5-15)10-11-20(19)29-14-21(26)25-17-8-6-16(23)7-9-17/h1-12,24H,13-14H2,(H,25,26)
InChIKeyCYXNVCITTBROLI-UHFFFAOYSA-N
MW448.90 g/mol
LogP3.98
Rot. Bonds8

About 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 3969964) has the molecular formula C21H18ClFN2O4S and a molecular weight of 448.90 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID3969964
Molecular FormulaC21H18ClFN2O4S
Molecular Weight448.90 g/mol
Exact Mass448.07
IUPAC Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C21H18ClFN2O4S/c22-19-12-18(30(27,28)24-13-15-4-2-1-3-5-15)10-11-20(19)29-14-21(26)25-17-8-6-16(23)7-9-17/h1-12,24H,13-14H2,(H,25,26)
InChIKeyCYXNVCITTBROLI-UHFFFAOYSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126272811
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(2-ethylphenyl)acetamide
CID 126279616
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126260217
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 4928938
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 1090581
4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide
CID 126393732
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100796723
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide (CID 3969964) is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is CYXNVCITTBROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O4S/c22-19-12-18(30(27,28)24-13-15-4-2-1-3-5-15)10-11-20(19)29-14-21(26)25-17-8-6-16(23)7-9-17/h1-12,24H,13-14H2,(H,25,26).
What are the key properties of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 448.90 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3969964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).