2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide

C17H24F3N3O4S — CID 42869383

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCCN2CCOCC2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O4S/c1-22-16(13-2-4-14(5-3-13)17(18,19)20)15(12-27-22)28(24,25)21-6-7-23-8-10-26-11-9-23/h2-5,15-16,21H,6-12H2,1H3
InChIKeyLMNJDMZTFIRQEH-UHFFFAOYSA-N
MW423.46 g/mol
LogP1.24
Rot. Bonds6

About 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide

2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869383) has the molecular formula C17H24F3N3O4S and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID42869383
Molecular FormulaC17H24F3N3O4S
Molecular Weight423.46 g/mol
Exact Mass423.14
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCCN2CCOCC2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O4S/c1-22-16(13-2-4-14(5-3-13)17(18,19)20)15(12-27-22)28(24,25)21-6-7-23-8-10-26-11-9-23/h2-5,15-16,21H,6-12H2,1H3
InChIKeyLMNJDMZTFIRQEH-UHFFFAOYSA-N
XLogP1.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide 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 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (CID 42869383) is 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)NCCN2CCOCC2)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is LMNJDMZTFIRQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O4S/c1-22-16(13-2-4-14(5-3-13)17(18,19)20)15(12-27-22)28(24,25)21-6-7-23-8-10-26-11-9-23/h2-5,15-16,21H,6-12H2,1H3.
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 423.46 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).