5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide

C23H23FN2O3S — CID 33305075

IUPAC5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
SMILESCc1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)ccc1F
InChIInChI=1S/C23H23FN2O3S/c1-16-8-10-20(30(28,29)26-15-18-6-4-3-5-7-18)13-21(16)23(27)25-14-19-9-11-22(24)17(2)12-19/h3-13,26H,14-15H2,1-2H3,(H,25,27)
InChIKeyHUCFUJYNZCHQSP-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.85
Rot. Bonds7

About 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide

5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide (PubChem CID 33305075) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
PubChem CID33305075
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
SMILESCc1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)ccc1F
InChIInChI=1S/C23H23FN2O3S/c1-16-8-10-20(30(28,29)26-15-18-6-4-3-5-7-18)13-21(16)23(27)25-14-19-9-11-22(24)17(2)12-19/h3-13,26H,14-15H2,1-2H3,(H,25,27)
InChIKeyHUCFUJYNZCHQSP-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide
CID 55638308
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51166535
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27859379
5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 55948933

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide (CID 33305075) is 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide is Cc1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)ccc1F.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide?
The InChIKey is HUCFUJYNZCHQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-16-8-10-20(30(28,29)26-15-18-6-4-3-5-7-18)13-21(16)23(27)25-14-19-9-11-22(24)17(2)12-19/h3-13,26H,14-15H2,1-2H3,(H,25,27).
What are the key properties of 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide has a molecular weight of 426.51 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 33305075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).