1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide

C11H13F3N2O3S — CID 20650566

IUPAC1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)20(17,18)15-9-2-1-3-10(8-9)16-4-6-19-7-5-16/h1-3,8,15H,4-7H2
InChIKeyZJHZFYGLEMIWAL-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.78
Rot. Bonds3

About 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide

1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide (PubChem CID 20650566) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide
PubChem CID20650566
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)20(17,18)15-9-2-1-3-10(8-9)16-4-6-19-7-5-16/h1-3,8,15H,4-7H2
InChIKeyZJHZFYGLEMIWAL-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide (CID 20650566) is 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide is O=S(=O)(Nc1cccc(N2CCOCC2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide?
The InChIKey is ZJHZFYGLEMIWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)20(17,18)15-9-2-1-3-10(8-9)16-4-6-19-7-5-16/h1-3,8,15H,4-7H2.
What are the key properties of 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide has a molecular weight of 310.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-morpholin-4-ylphenyl)methanesulfonamide is sourced from PubChem (CID 20650566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).