1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide

C13H15F3N2O4S — CID 12833920

IUPAC1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide
SMILESO=C(Cc1ccccc1NS(=O)(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)23(20,21)17-11-4-2-1-3-10(11)9-12(19)18-5-7-22-8-6-18/h1-4,17H,5-9H2
InChIKeyNBGOHHILFUMLOK-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.35
Rot. Bonds4

About 1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide

1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide (PubChem CID 12833920) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide
PubChem CID12833920
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide
SMILESO=C(Cc1ccccc1NS(=O)(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)23(20,21)17-11-4-2-1-3-10(11)9-12(19)18-5-7-22-8-6-18/h1-4,17H,5-9H2
InChIKeyNBGOHHILFUMLOK-UHFFFAOYSA-N
XLogP1.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.35
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-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide (CID 12833920) is 1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide is O=C(Cc1ccccc1NS(=O)(=O)C(F)(F)F)N1CCOCC1.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide?
The InChIKey is NBGOHHILFUMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c14-13(15,16)23(20,21)17-11-4-2-1-3-10(11)9-12(19)18-5-7-22-8-6-18/h1-4,17H,5-9H2.
What are the key properties of 1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide has a molecular weight of 352.33 g/mol, XLogP of 1.35, 4 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-[2-(2-morpholin-4-yl-2-oxoethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 12833920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).