N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide

C22H20F2N2O3S — CID 133297905

IUPACN-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNc3ccccc3S(=O)(=O)C(F)F)c2)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-15-9-11-17(12-10-15)21(27)26-18-6-4-5-16(13-18)14-25-19-7-2-3-8-20(19)30(28,29)22(23)24/h2-13,22,25H,14H2,1H3,(H,26,27)
InChIKeyVHSRNIGDVWPYCM-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.86
Rot. Bonds7

About N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide

N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide (PubChem CID 133297905) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide
PubChem CID133297905
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC NameN-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNc3ccccc3S(=O)(=O)C(F)F)c2)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-15-9-11-17(12-10-15)21(27)26-18-6-4-5-16(13-18)14-25-19-7-2-3-8-20(19)30(28,29)22(23)24/h2-13,22,25H,14H2,1H3,(H,26,27)
InChIKeyVHSRNIGDVWPYCM-UHFFFAOYSA-N
XLogP4.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide
CID 133297960
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(difluoromethylsulfonyl)aniline
CID 133300175
4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
CID 145489122
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide
CID 133396949
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119438655
4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide
CID 27655051
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
CID 155202146

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide (CID 133297905) is N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(CNc3ccccc3S(=O)(=O)C(F)F)c2)cc1.
What is the InChIKey of N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide?
The InChIKey is VHSRNIGDVWPYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-15-9-11-17(12-10-15)21(27)26-18-6-4-5-16(13-18)14-25-19-7-2-3-8-20(19)30(28,29)22(23)24/h2-13,22,25H,14H2,1H3,(H,26,27).
What are the key properties of N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide?
N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide has a molecular weight of 430.48 g/mol, XLogP of 4.86, 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]-4-methylbenzamide is sourced from PubChem (CID 133297905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).