2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide

C21H18BrFN2O4S — CID 28554113

IUPAC2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H18BrFN2O4S/c1-14-2-5-16(23)12-20(14)24-21(26)13-29-18-8-10-19(11-9-18)30(27,28)25-17-6-3-15(22)4-7-17/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyYFGAPDJVXBHQJS-UHFFFAOYSA-N
MW493.35 g/mol
LogP4.71
Rot. Bonds7

About 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide

2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 28554113) has the molecular formula C21H18BrFN2O4S and a molecular weight of 493.35 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID28554113
Molecular FormulaC21H18BrFN2O4S
Molecular Weight493.35 g/mol
Exact Mass492.02
IUPAC Name2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H18BrFN2O4S/c1-14-2-5-16(23)12-20(14)24-21(26)13-29-18-8-10-19(11-9-18)30(27,28)25-17-6-3-15(22)4-7-17/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyYFGAPDJVXBHQJS-UHFFFAOYSA-N
XLogP4.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.35
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 2228508
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 4850822
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(2-methyl-5-nitrophenyl)acetamide
CID 3879058
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(4-iodophenyl)acetamide
CID 126396397
N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 54777061
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide (CID 28554113) is 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is YFGAPDJVXBHQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O4S/c1-14-2-5-16(23)12-20(14)24-21(26)13-29-18-8-10-19(11-9-18)30(27,28)25-17-6-3-15(22)4-7-17/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide?
2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 493.35 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 28554113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).