N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide

C13H17F3N2O3S — CID 51113650

IUPACN-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide
SMILESCC(NS(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O3S/c1-10(11-2-4-12(5-3-11)13(14,15)16)17-22(19,20)18-6-8-21-9-7-18/h2-5,10,17H,6-9H2,1H3
InChIKeyUANFVAJQMVNJKE-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.93
Rot. Bonds4

About N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide

N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide (PubChem CID 51113650) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide
PubChem CID51113650
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide
SMILESCC(NS(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O3S/c1-10(11-2-4-12(5-3-11)13(14,15)16)17-22(19,20)18-6-8-21-9-7-18/h2-5,10,17H,6-9H2,1H3
InChIKeyUANFVAJQMVNJKE-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-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 N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide (CID 51113650) is N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide is CC(NS(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide?
The InChIKey is UANFVAJQMVNJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-10(11-2-4-12(5-3-11)13(14,15)16)17-22(19,20)18-6-8-21-9-7-18/h2-5,10,17H,6-9H2,1H3.
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide?
N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide has a molecular weight of 338.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 51113650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).