N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide

C15H21FN2O4S — CID 27661594

IUPACN-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
SMILESC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C15H21FN2O4S/c1-10-8-18(9-11(2)22-10)15(19)12(3)17-23(20,21)14-6-4-13(16)5-7-14/h4-7,10-12,17H,8-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyMDMLTOONBQQURZ-TUAOUCFPSA-N
MW344.41 g/mol
LogP1.13
Rot. Bonds4

About N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide

N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 27661594) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
PubChem CID27661594
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC NameN-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
SMILESC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C15H21FN2O4S/c1-10-8-18(9-11(2)22-10)15(19)12(3)17-23(20,21)14-6-4-13(16)5-7-14/h4-7,10-12,17H,8-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyMDMLTOONBQQURZ-TUAOUCFPSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
4-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 9255097
4-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 9255096
4-bromo-N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 124545824
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 4037453
N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 120657511
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609267
N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55935351
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 55358827
N-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-1-oxobutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 51968637
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoate
CID 98393834
[(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoate
CID 98938303

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide (CID 27661594) is N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide is C[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is MDMLTOONBQQURZ-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-10-8-18(9-11(2)22-10)15(19)12(3)17-23(20,21)14-6-4-13(16)5-7-14/h4-7,10-12,17H,8-9H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide?
N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 344.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 27661594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).