4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide

C16H14F3NO3S — CID 2534448

IUPAC4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(CC1=CC(=CC=C1)F)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F
InChIInChI=1S/C16H14F3NO3S/c1-20(10-11-3-2-4-13(17)9-11)15(21)12-5-7-14(8-6-12)24(22,23)16(18)19/h2-9,16H,10H2,1H3
InChIKeyQEUPWJUWOBWNIS-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.20
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide

4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 2534448) has the molecular formula C16H14F3NO3S and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID2534448
Molecular FormulaC16H14F3NO3S
Molecular Weight357.30 g/mol
Exact Mass357.06
IUPAC Name4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(CC1=CC(=CC=C1)F)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F
InChIInChI=1S/C16H14F3NO3S/c1-20(10-11-3-2-4-13(17)9-11)15(21)12-5-7-14(8-6-12)24(22,23)16(18)19/h2-9,16H,10H2,1H3
InChIKeyQEUPWJUWOBWNIS-UHFFFAOYSA-N
XLogP3.20
TPSA62.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity527

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
Imrecoxib
CID 11682175
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
CID 197239
4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzamide
CID 9953268
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(benzylsulfonyl)-N-methylbenzamide Hydrochloride
CID 197240
Piperidine Derivative 22
CID 10029132
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (CID 2534448) is 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is CN(CC1=CC(=CC=C1)F)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is QEUPWJUWOBWNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-20(10-11-3-2-4-13(17)9-11)15(21)12-5-7-14(8-6-12)24(22,23)16(18)19/h2-9,16H,10H2,1H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 357.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 2534448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).