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

C21H17BrClFN2O4S — CID 126272811

IUPAC2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccc(Br)cc1F
InChIInChI=1S/C21H17BrClFN2O4S/c22-15-6-8-19(18(24)10-15)26-21(27)13-30-20-9-7-16(11-17(20)23)31(28,29)25-12-14-4-2-1-3-5-14/h1-11,25H,12-13H2,(H,26,27)
InChIKeyQQVCCWOVIMBHGS-UHFFFAOYSA-N
MW527.80 g/mol
LogP4.74
Rot. Bonds8

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

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 126272811) has the molecular formula C21H17BrClFN2O4S and a molecular weight of 527.80 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID126272811
Molecular FormulaC21H17BrClFN2O4S
Molecular Weight527.80 g/mol
Exact Mass525.98
IUPAC Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccc(Br)cc1F
InChIInChI=1S/C21H17BrClFN2O4S/c22-15-6-8-19(18(24)10-15)26-21(27)13-30-20-9-7-16(11-17(20)23)31(28,29)25-12-14-4-2-1-3-5-14/h1-11,25H,12-13H2,(H,26,27)
InChIKeyQQVCCWOVIMBHGS-UHFFFAOYSA-N
XLogP4.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.80
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 3969964
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]acetic acid
CID 7342391
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 1090581
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860907
N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 4928938
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide (CID 126272811) is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is QQVCCWOVIMBHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrClFN2O4S/c22-15-6-8-19(18(24)10-15)26-21(27)13-30-20-9-7-16(11-17(20)23)31(28,29)25-12-14-4-2-1-3-5-14/h1-11,25H,12-13H2,(H,26,27).
What are the key properties of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide?
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 527.80 g/mol, XLogP of 4.74, 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-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 126272811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).