methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium

C18H20F3N2O3S+ — CID 8595928

IUPACmethyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-23(11-13-6-8-14(9-7-13)18(19,20)21)12-17(24)22-15-4-3-5-16(10-15)27(2,25)26/h3-10H,11-12H2,1-2H3,(H,22,24)/p+1
InChIKeyWWFVMMKOIQTFNH-UHFFFAOYSA-O
MW401.43 g/mol
LogP1.76
Rot. Bonds6

About methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium

methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 8595928) has the molecular formula C18H20F3N2O3S+ and a molecular weight of 401.43 g/mol. Its IUPAC name is methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID8595928
Molecular FormulaC18H20F3N2O3S+
Molecular Weight401.43 g/mol
Exact Mass401.11
IUPAC Namemethyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-23(11-13-6-8-14(9-7-13)18(19,20)21)12-17(24)22-15-4-3-5-16(10-15)27(2,25)26/h3-10H,11-12H2,1-2H3,(H,22,24)/p+1
InChIKeyWWFVMMKOIQTFNH-UHFFFAOYSA-O
XLogP1.76
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium 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

[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221571
(4-bromophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9040443
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 8961732
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804558
methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8810381
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 9003233
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221573
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8906848
(2-anilino-2-oxoethyl)-[(4-tert-butylphenyl)methyl]-methylazanium
CID 8908661
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium (CID 8595928) is methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium is C[NH+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is WWFVMMKOIQTFNH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19F3N2O3S/c1-23(11-13-6-8-14(9-7-13)18(19,20)21)12-17(24)22-15-4-3-5-16(10-15)27(2,25)26/h3-10H,11-12H2,1-2H3,(H,22,24)/p+1.
What are the key properties of methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium?
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 401.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 8595928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).