4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide

C16H15F2NO3S — CID 2671565

IUPAC4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C16H15F2NO3S/c1-11-2-4-12(5-3-11)10-19-15(20)13-6-8-14(9-7-13)23(21,22)16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyPFFDSHYDCVHQKG-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.92
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide

4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 2671565) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID2671565
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C16H15F2NO3S/c1-11-2-4-12(5-3-11)10-19-15(20)13-6-8-14(9-7-13)23(21,22)16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyPFFDSHYDCVHQKG-UHFFFAOYSA-N
XLogP2.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 47032733
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60515751
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide (CID 2671565) is 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is PFFDSHYDCVHQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-11-2-4-12(5-3-11)10-19-15(20)13-6-8-14(9-7-13)23(21,22)16(17)18/h2-9,16H,10H2,1H3,(H,19,20).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide?
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 339.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 2671565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).