5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide

C16H16BrFN2O3S — CID 30459248

IUPAC5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFN2O3S/c1-20(2)24(22,23)15-6-4-3-5-11(15)10-19-16(21)13-9-12(17)7-8-14(13)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyVJBWJLCISVNWBQ-UHFFFAOYSA-N
MW415.28 g/mol
LogP2.77
Rot. Bonds5

About 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide

5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide (PubChem CID 30459248) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide
PubChem CID30459248
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC Name5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFN2O3S/c1-20(2)24(22,23)15-6-4-3-5-11(15)10-19-16(21)13-9-12(17)7-8-14(13)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyVJBWJLCISVNWBQ-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687228
2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29449798
1-(4-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55909395
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 51319254
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24614043
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41406588
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
4-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide (CID 30459248) is 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide?
The InChIKey is VJBWJLCISVNWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c1-20(2)24(22,23)15-6-4-3-5-11(15)10-19-16(21)13-9-12(17)7-8-14(13)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide?
5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide has a molecular weight of 415.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 30459248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).