2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide

C16H15FN2O4S — CID 9071274

IUPAC2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O4S/c1-24(22,23)12-6-4-5-11(9-12)19-15(20)10-18-16(21)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyFFVNZAYPYGHLGR-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.60
Rot. Bonds5

About 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide

2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide (PubChem CID 9071274) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
PubChem CID9071274
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O4S/c1-24(22,23)12-6-4-5-11(9-12)19-15(20)10-18-16(21)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyFFVNZAYPYGHLGR-UHFFFAOYSA-N
XLogP1.60
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071303
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
CID 134013213
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26694803
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 26578993
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
CID 17455691

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide (CID 9071274) is 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide is CS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide?
The InChIKey is FFVNZAYPYGHLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-24(22,23)12-6-4-5-11(9-12)19-15(20)10-18-16(21)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide?
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide has a molecular weight of 350.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9071274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).