N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide

C12H16F3N3O3S — CID 136525661

IUPACN-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1NCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H16F3N3O3S/c13-12(14,15)9-16-10-3-1-2-4-11(10)17-22(19,20)18-5-7-21-8-6-18/h1-4,16-17H,5-9H2
InChIKeyPNWOZDFXNAOGSH-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide

N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide (PubChem CID 136525661) has the molecular formula C12H16F3N3O3S and a molecular weight of 339.34 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide
PubChem CID136525661
Molecular FormulaC12H16F3N3O3S
Molecular Weight339.34 g/mol
Exact Mass339.09
IUPAC NameN-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1NCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H16F3N3O3S/c13-12(14,15)9-16-10-3-1-2-4-11(10)17-22(19,20)18-5-7-21-8-6-18/h1-4,16-17H,5-9H2
InChIKeyPNWOZDFXNAOGSH-UHFFFAOYSA-N
XLogP1.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,2,2-trifluoroethylamino)phenyl]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-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide (CID 136525661) is N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide is O=S(=O)(Nc1ccccc1NCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide?
The InChIKey is PNWOZDFXNAOGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3S/c13-12(14,15)9-16-10-3-1-2-4-11(10)17-22(19,20)18-5-7-21-8-6-18/h1-4,16-17H,5-9H2.
What are the key properties of N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide?
N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide has a molecular weight of 339.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide is sourced from PubChem (CID 136525661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).