[4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium

C17H19ClF3N2O2S+ — CID 9191351

IUPAC[4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C17H18ClF3N2O2S/c1-23(2)11-13-5-3-12(4-6-13)10-22-26(24,25)16-9-14(17(19,20)21)7-8-15(16)18/h3-9,22H,10-11H2,1-2H3/p+1
InChIKeyTYUUMMFMYAULEM-UHFFFAOYSA-O
MW407.87 g/mol
LogP2.48
Rot. Bonds6

About [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium

[4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9191351) has the molecular formula C17H19ClF3N2O2S+ and a molecular weight of 407.87 g/mol. Its IUPAC name is [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9191351
Molecular FormulaC17H19ClF3N2O2S+
Molecular Weight407.87 g/mol
Exact Mass407.08
IUPAC Name[4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C17H18ClF3N2O2S/c1-23(2)11-13-5-3-12(4-6-13)10-22-26(24,25)16-9-14(17(19,20)21)7-8-15(16)18/h3-9,22H,10-11H2,1-2H3/p+1
InChIKeyTYUUMMFMYAULEM-UHFFFAOYSA-O
XLogP2.48
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium 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 [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium (CID 9191351) is [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is TYUUMMFMYAULEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClF3N2O2S/c1-23(2)11-13-5-3-12(4-6-13)10-22-26(24,25)16-9-14(17(19,20)21)7-8-15(16)18/h3-9,22H,10-11H2,1-2H3/p+1.
What are the key properties of [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
[4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 407.87 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9191351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).