4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C16H15F3N2O4S — CID 41479006

IUPAC4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O4S/c1-26(23,24)21-13-8-6-11(7-9-13)15(22)20-10-12-4-2-3-5-14(12)25-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyGISUQWFNEWLGLO-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.89
Rot. Bonds6

About 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 41479006) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID41479006
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O4S/c1-26(23,24)21-13-8-6-11(7-9-13)15(22)20-10-12-4-2-3-5-14(12)25-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyGISUQWFNEWLGLO-UHFFFAOYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560631
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553753
4-(methanesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 41477402
4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24743255
4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 42121264
N-butyl-4-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]benzamide
CID 112829565
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 30254086
tert-butyl N-[3-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 34555235

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 41479006) is 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is GISUQWFNEWLGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-26(23,24)21-13-8-6-11(7-9-13)15(22)20-10-12-4-2-3-5-14(12)25-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22).
What are the key properties of 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 388.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 41479006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).