3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide

C15H14BrFN2O3S — CID 46476520

IUPAC3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrFN2O3S/c1-23(21,22)19-14-5-3-2-4-10(14)9-18-15(20)11-6-12(16)8-13(17)7-11/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyFGQVKNWEFIKFJW-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.89
Rot. Bonds5

About 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide

3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide (PubChem CID 46476520) has the molecular formula C15H14BrFN2O3S and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
PubChem CID46476520
Molecular FormulaC15H14BrFN2O3S
Molecular Weight401.26 g/mol
Exact Mass399.99
IUPAC Name3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrFN2O3S/c1-23(21,22)19-14-5-3-2-4-10(14)9-18-15(20)11-6-12(16)8-13(17)7-11/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyFGQVKNWEFIKFJW-UHFFFAOYSA-N
XLogP2.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78875776
3-bromo-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-fluorobenzamide
CID 55715109
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
3,5-difluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368320
2-ethoxy-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476558
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
N-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 55711111
3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896384
4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46476539
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide (CID 46476520) is 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide is CS(=O)(=O)Nc1ccccc1CNC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide?
The InChIKey is FGQVKNWEFIKFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3S/c1-23(21,22)19-14-5-3-2-4-10(14)9-18-15(20)11-6-12(16)8-13(17)7-11/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide?
3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide has a molecular weight of 401.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide is sourced from PubChem (CID 46476520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).