N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide

C13H15F5N2O3S — CID 172614986

IUPACN-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide
SMILESCN([C@H](c1ccc(F)c(F)c1)C(F)(F)F)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H15F5N2O3S/c1-19(24(21,22)20-4-6-23-7-5-20)12(13(16,17)18)9-2-3-10(14)11(15)8-9/h2-3,8,12H,4-7H2,1H3/t12-/m1/s1
InChIKeyHWDIGVARWJPNGZ-GFCCVEGCSA-N
MW374.33 g/mol
LogP2.08
Rot. Bonds4

About N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide

N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide (PubChem CID 172614986) has the molecular formula C13H15F5N2O3S and a molecular weight of 374.33 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide
PubChem CID172614986
Molecular FormulaC13H15F5N2O3S
Molecular Weight374.33 g/mol
Exact Mass374.07
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide
SMILESCN([C@H](c1ccc(F)c(F)c1)C(F)(F)F)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H15F5N2O3S/c1-19(24(21,22)20-4-6-23-7-5-20)12(13(16,17)18)9-2-3-10(14)11(15)8-9/h2-3,8,12H,4-7H2,1H3/t12-/m1/s1
InChIKeyHWDIGVARWJPNGZ-GFCCVEGCSA-N
XLogP2.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-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-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide (CID 172614986) is N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide is CN([C@H](c1ccc(F)c(F)c1)C(F)(F)F)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide?
The InChIKey is HWDIGVARWJPNGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15F5N2O3S/c1-19(24(21,22)20-4-6-23-7-5-20)12(13(16,17)18)9-2-3-10(14)11(15)8-9/h2-3,8,12H,4-7H2,1H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide?
N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide has a molecular weight of 374.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 172614986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).