1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide

C12H13F3N2O4S — CID 66709293

IUPAC1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide
SMILESO=C1COCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H13F3N2O4S/c13-12(14,15)22(19,20)16-10-4-2-1-3-9(10)7-17-5-6-21-8-11(17)18/h1-4,16H,5-8H2
InChIKeyDFGRWVGWLGTRPV-UHFFFAOYSA-N
MW338.31 g/mol
LogP1.31
Rot. Bonds4

About 1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide (PubChem CID 66709293) has the molecular formula C12H13F3N2O4S and a molecular weight of 338.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide
PubChem CID66709293
Molecular FormulaC12H13F3N2O4S
Molecular Weight338.31 g/mol
Exact Mass338.05
IUPAC Name1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide
SMILESO=C1COCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H13F3N2O4S/c13-12(14,15)22(19,20)16-10-4-2-1-3-9(10)7-17-5-6-21-8-11(17)18/h1-4,16H,5-8H2
InChIKeyDFGRWVGWLGTRPV-UHFFFAOYSA-N
XLogP1.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Difluoro-1-morpholin-4-yl-2-[(phenylamino)sulfonyl]ethan-1-one
CID 663348
N-(1-(2-methoxyacetyl)-1,2,3,4-tetrahydroquinolin-7-yl)methanesulfonamide
CID 43990241
4-Ethyl-3-[2-(trifluoromethanesulfonylamino)benzyl]-2-oxazolidinone
CID 11667497
N-[o-(trifluoromethanesulfonamido)phenylacetyl]morpholine
CID 12833920
4-(4-Amino-2-(trifluoromethyl)phenyl)morpholin-3-one
CID 23105286
1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide
CID 46855137
1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
CID 50943393
5-Ethyl-3-[2-(trifluoromethanesulfonylamino)benzyl]-2-oxazolidinone
CID 50943396
3-[2-(Trifluoromethanesulfonylamino)benzyl]-[1,3]-oxazinan-2-one
CID 50943475
4-[4-Amino-3-(trifluoromethyl)phenyl]morpholin-3-one
CID 53417810
6,6-Dimethyl-3-(2-trifluoromethanesulfonylaminobenzyl)-1,3-oxazinan-4-one
CID 66709448
2-Methyl-4-(2-trifluoromethanesulfonylaminobenzyl)-1,4-oxazinan-3-one
CID 66709456

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide (CID 66709293) is 1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide is O=C1COCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is DFGRWVGWLGTRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O4S/c13-12(14,15)22(19,20)16-10-4-2-1-3-9(10)7-17-5-6-21-8-11(17)18/h1-4,16H,5-8H2.
What are the key properties of 1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 1.31, 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-[(3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 66709293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).