N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide

C17H17F3N2O3S — CID 33284711

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-21-26(24,25)11-13-8-6-12(7-9-13)10-22-16(23)14-4-2-3-5-15(14)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyBVXDKFUIZTXPDQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.68
Rot. Bonds6

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 33284711) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID33284711
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-21-26(24,25)11-13-8-6-12(7-9-13)10-22-16(23)14-4-2-3-5-15(14)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyBVXDKFUIZTXPDQ-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 47064047
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122928
5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 34558079
2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid
CID 45384591
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 90536100
1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
CID 46486002
2-chloro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-methylsulfanylbenzamide
CID 46662404
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide (CID 33284711) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BVXDKFUIZTXPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-21-26(24,25)11-13-8-6-12(7-9-13)10-22-16(23)14-4-2-3-5-15(14)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 386.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 33284711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).