N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide

C21H17F3N2O3S — CID 19062175

IUPACN-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C21H17F3N2O3S/c1-30(28,29)26(13-15-4-2-3-5-18(15)23)17-9-6-14(7-10-17)21(27)25-20-11-8-16(22)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyMSTOCGZKUBJYMC-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.32
Rot. Bonds6

About N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide

N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 19062175) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
PubChem CID19062175
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC NameN-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C21H17F3N2O3S/c1-30(28,29)26(13-15-4-2-3-5-18(15)23)17-9-6-14(7-10-17)21(27)25-20-11-8-16(22)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyMSTOCGZKUBJYMC-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1290601
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-fluorophenyl)benzamide
CID 1311064
N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282659
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217975
N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117559
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 94020257
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
CID 1363267
N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133163863
N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001427

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide (CID 19062175) is N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide is CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is MSTOCGZKUBJYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-30(28,29)26(13-15-4-2-3-5-18(15)23)17-9-6-14(7-10-17)21(27)25-20-11-8-16(22)12-19(20)24/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 434.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 19062175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).