N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide

C15H14F2N2O3S — CID 47001427

IUPACN-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1cccc(C(=O)Nc2ccc(F)cc2F)c1)S(C)(=O)=O
InChIInChI=1S/C15H14F2N2O3S/c1-19(23(2,21)22)12-5-3-4-10(8-12)15(20)18-14-7-6-11(16)9-13(14)17/h3-9H,1-2H3,(H,18,20)
InChIKeyVIGVFMQBSFRYHP-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.61
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide

N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 47001427) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
PubChem CID47001427
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC NameN-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1cccc(C(=O)Nc2ccc(F)cc2F)c1)S(C)(=O)=O
InChIInChI=1S/C15H14F2N2O3S/c1-19(23(2,21)22)12-5-3-4-10(8-12)15(20)18-14-7-6-11(16)9-13(14)17/h3-9H,1-2H3,(H,18,20)
InChIKeyVIGVFMQBSFRYHP-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 50810288
3-(dimethylamino)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522946
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
CID 109065487
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 19062175
N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100571722
N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156113

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide (CID 47001427) is N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide is CN(c1cccc(C(=O)Nc2ccc(F)cc2F)c1)S(C)(=O)=O.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is VIGVFMQBSFRYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c1-19(23(2,21)22)12-5-3-4-10(8-12)15(20)18-14-7-6-11(16)9-13(14)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 340.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 47001427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).