3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C16H15F3N2O4S — CID 34553753

IUPAC3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O4S/c1-20-26(23,24)13-7-4-6-11(9-13)15(22)21-10-12-5-2-3-8-14(12)25-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyDZCAIHIYLVQARY-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.42
Rot. Bonds6

About 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 34553753) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID34553753
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O4S/c1-20-26(23,24)13-7-4-6-11(9-13)15(22)21-10-12-5-2-3-8-14(12)25-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyDZCAIHIYLVQARY-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560634
tert-butyl N-[3-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 34555235
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide
CID 171794388
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560631
3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34554477
3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
3-(methylsulfamoyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99116231
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
3-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3859291

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 34553753) is 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is DZCAIHIYLVQARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-20-26(23,24)13-7-4-6-11(9-13)15(22)21-10-12-5-2-3-8-14(12)25-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22).
What are the key properties of 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 388.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 34553753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).