5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide

C16H16BrFN2O3S — CID 34558079

IUPAC5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H16BrFN2O3S/c1-19-24(22,23)10-12-4-2-11(3-5-12)9-20-16(21)14-8-13(17)6-7-15(14)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyYIPXOIJYRUHURK-UHFFFAOYSA-N
MW415.28 g/mol
LogP2.57
Rot. Bonds6

About 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide

5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 34558079) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID34558079
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC Name5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H16BrFN2O3S/c1-19-24(22,23)10-12-4-2-11(3-5-12)9-20-16(21)14-8-13(17)6-7-15(14)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyYIPXOIJYRUHURK-UHFFFAOYSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122928
5-bromo-2-fluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8545995
3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 33118512
2-chloro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-methylsulfanylbenzamide
CID 46662404
4-chloro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-nitrobenzamide
CID 38122888
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483412
5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36909799
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 33284711
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide (CID 34558079) is 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(Br)ccc2F)cc1.
What is the InChIKey of 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is YIPXOIJYRUHURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c1-19-24(22,23)10-12-4-2-11(3-5-12)9-20-16(21)14-8-13(17)6-7-15(14)18/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 415.28 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 34558079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).