3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide

C17H19FN2O3S — CID 33118512

IUPAC3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-12-3-8-15(9-16(12)18)17(21)20-10-13-4-6-14(7-5-13)11-24(22,23)19-2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyCPUBLIXDHYUADI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.11
Rot. Bonds6

About 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide

3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 33118512) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID33118512
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-12-3-8-15(9-16(12)18)17(21)20-10-13-4-6-14(7-5-13)11-24(22,23)19-2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyCPUBLIXDHYUADI-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122928
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 34558079
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
CID 32544617
3-fluoro-N-[2-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111231617
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
3-fluoro-4-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397907
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide (CID 33118512) is 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is CPUBLIXDHYUADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-3-8-15(9-16(12)18)17(21)20-10-13-4-6-14(7-5-13)11-24(22,23)19-2/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 33118512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).