N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide

C21H17F3N2O3S — CID 133297960

IUPACN-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cccc(CNc2ccccc2S(=O)(=O)C(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C21H17F3N2O3S/c22-16-7-4-6-15(12-16)20(27)26-17-8-3-5-14(11-17)13-25-18-9-1-2-10-19(18)30(28,29)21(23)24/h1-12,21,25H,13H2,(H,26,27)
InChIKeyGQKHCAWJPSNMBM-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.69
Rot. Bonds7

About N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide

N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide (PubChem CID 133297960) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide
PubChem CID133297960
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC NameN-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cccc(CNc2ccccc2S(=O)(=O)C(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C21H17F3N2O3S/c22-16-7-4-6-15(12-16)20(27)26-17-8-3-5-14(11-17)13-25-18-9-1-2-10-19(18)30(28,29)21(23)24/h1-12,21,25H,13H2,(H,26,27)
InChIKeyGQKHCAWJPSNMBM-UHFFFAOYSA-N
XLogP4.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide
CID 133297905
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
CID 119039957
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(difluoromethylsulfonyl)aniline
CID 133300175
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide
CID 133319767
4-(benzylamino)-N-(3-fluorophenyl)-3-nitrobenzamide
CID 9412693
N-[3-[[3-[2-(difluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]-3-fluorobenzamide
CID 55893547
N-[3-[[(2-cyclopropylpyrimidin-4-yl)amino]methyl]phenyl]-3-fluorobenzamide
CID 133297956
3-fluoro-N-[3-[[(5-fluoroquinazolin-4-yl)amino]methyl]phenyl]benzamide
CID 78901220
3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide
CID 87034699

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide (CID 133297960) is N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide is O=C(Nc1cccc(CNc2ccccc2S(=O)(=O)C(F)F)c1)c1cccc(F)c1.
What is the InChIKey of N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide?
The InChIKey is GQKHCAWJPSNMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c22-16-7-4-6-15(12-16)20(27)26-17-8-3-5-14(11-17)13-25-18-9-1-2-10-19(18)30(28,29)21(23)24/h1-12,21,25H,13H2,(H,26,27).
What are the key properties of N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide?
N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide has a molecular weight of 434.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 133297960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).