2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide

C22H21BrN2O4S — CID 26196212

IUPAC2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-25(2)30(27,28)19-12-10-18(11-13-19)24-22(26)20-8-3-4-9-21(20)29-15-16-6-5-7-17(23)14-16/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyFKJPVDJDRNBSLG-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.53
Rot. Bonds7

About 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide

2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide (PubChem CID 26196212) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
PubChem CID26196212
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC Name2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-25(2)30(27,28)19-12-10-18(11-13-19)24-22(26)20-8-3-4-9-21(20)29-15-16-6-5-7-17(23)14-16/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyFKJPVDJDRNBSLG-UHFFFAOYSA-N
XLogP4.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 43000565
N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 4942085
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide
CID 78903302
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24658178
2-[(3-bromophenyl)methoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 56827840
N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628447
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43234682
2-(2-amino-2-oxoethoxy)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]benzamide
CID 24524423

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide (CID 26196212) is 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
The InChIKey is FKJPVDJDRNBSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-25(2)30(27,28)19-12-10-18(11-13-19)24-22(26)20-8-3-4-9-21(20)29-15-16-6-5-7-17(23)14-16/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide has a molecular weight of 489.39 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 26196212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).