N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C20H20F4N2O4S — CID 55938300

IUPACN-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H20F4N2O4S/c1-13(25-31(28,29)18-5-3-2-4-16(18)20(22,23)24)19(27)26-10-11-30-17(12-26)14-6-8-15(21)9-7-14/h2-9,13,17,25H,10-12H2,1H3/t13-,17?/m0/s1
InChIKeyRDOSVDUZNMIJEE-CWQZNGJJSA-N
MW460.45 g/mol
LogP3.11
Rot. Bonds5

About N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 55938300) has the molecular formula C20H20F4N2O4S and a molecular weight of 460.45 g/mol. Its IUPAC name is N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID55938300
Molecular FormulaC20H20F4N2O4S
Molecular Weight460.45 g/mol
Exact Mass460.11
IUPAC NameN-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H20F4N2O4S/c1-13(25-31(28,29)18-5-3-2-4-16(18)20(22,23)24)19(27)26-10-11-30-17(12-26)14-6-8-15(21)9-7-14/h2-9,13,17,25H,10-12H2,1H3/t13-,17?/m0/s1
InChIKeyRDOSVDUZNMIJEE-CWQZNGJJSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide
CID 110348278
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]benzamide
CID 55564010
1-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119355103
N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938474
2-fluoro-N-[(2S)-1-oxo-1-[(2R)-2-propan-2-ylmorpholin-4-yl]propan-2-yl]benzenesulfonamide
CID 97340478
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 71934061
N-[(2S)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55940072
N-[(2S)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55949695
N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide
CID 110348267
N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55939135

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 55938300) is N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RDOSVDUZNMIJEE-CWQZNGJJSA-N. The full InChI is InChI=1S/C20H20F4N2O4S/c1-13(25-31(28,29)18-5-3-2-4-16(18)20(22,23)24)19(27)26-10-11-30-17(12-26)14-6-8-15(21)9-7-14/h2-9,13,17,25H,10-12H2,1H3/t13-,17?/m0/s1.
What are the key properties of N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 460.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55938300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).