1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene

C16H17F3N2O2S — CID 56877222

IUPAC1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene
SMILESCN(Cc1ccccc1C(F)(F)F)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H17F3N2O2S/c1-21(12-14-9-5-6-10-15(14)16(17,18)19)24(22,23)20-11-13-7-3-2-4-8-13/h2-10,20H,11-12H2,1H3
InChIKeyYZIDGPZFKAMFIE-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.17
Rot. Bonds6

About 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene

1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene (PubChem CID 56877222) has the molecular formula C16H17F3N2O2S and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene
PubChem CID56877222
Molecular FormulaC16H17F3N2O2S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC Name1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene
SMILESCN(Cc1ccccc1C(F)(F)F)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H17F3N2O2S/c1-21(12-14-9-5-6-10-15(14)16(17,18)19)24(22,23)20-11-13-7-3-2-4-8-13/h2-10,20H,11-12H2,1H3
InChIKeyYZIDGPZFKAMFIE-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene (CID 56877222) is 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene is CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene?
The InChIKey is YZIDGPZFKAMFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2S/c1-21(12-14-9-5-6-10-15(14)16(17,18)19)24(22,23)20-11-13-7-3-2-4-8-13/h2-10,20H,11-12H2,1H3.
What are the key properties of 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene?
1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene has a molecular weight of 358.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzylsulfamoyl(methyl)amino]methyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 56877222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).