2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide

C17H15F2NO3S — CID 9246462

IUPAC2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide
SMILESC=CCS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H15F2NO3S/c1-3-8-24(22,23)13-6-4-11(2)16(10-13)20-17(21)14-7-5-12(18)9-15(14)19/h3-7,9-10H,1,8H2,2H3,(H,20,21)
InChIKeyMKQSHDWXBLWSOP-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.49
Rot. Bonds5

About 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide

2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide (PubChem CID 9246462) has the molecular formula C17H15F2NO3S and a molecular weight of 351.37 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide
PubChem CID9246462
Molecular FormulaC17H15F2NO3S
Molecular Weight351.37 g/mol
Exact Mass351.07
IUPAC Name2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide
SMILESC=CCS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H15F2NO3S/c1-3-8-24(22,23)13-6-4-11(2)16(10-13)20-17(21)14-7-5-12(18)9-15(14)19/h3-7,9-10H,1,8H2,2H3,(H,20,21)
InChIKeyMKQSHDWXBLWSOP-UHFFFAOYSA-N
XLogP3.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
CID 9246477
2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26811616
2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
CID 9246472
2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
CID 26522089
N-(5-fluoro-2-methylphenyl)-2-(methanesulfonamido)benzamide
CID 51163852
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
N-(2,5-dimethylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103887364
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 27844858
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide (CID 9246462) is 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide is C=CCS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide?
The InChIKey is MKQSHDWXBLWSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3S/c1-3-8-24(22,23)13-6-4-11(2)16(10-13)20-17(21)14-7-5-12(18)9-15(14)19/h3-7,9-10H,1,8H2,2H3,(H,20,21).
What are the key properties of 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide?
2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide has a molecular weight of 351.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide is sourced from PubChem (CID 9246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).