[(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H19FN2O4S — CID 110876009

IUPAC[(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H19FN2O4S/c16-12-10-14(15(19)17-6-8-22-9-7-17)18(11-12)23(20,21)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2/t12-,14-/m0/s1
InChIKeyWHZJZINCNMSWTQ-JSGCOSHPSA-N
MW342.39 g/mol
LogP0.65
Rot. Bonds3

About [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110876009) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110876009
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name[(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H19FN2O4S/c16-12-10-14(15(19)17-6-8-22-9-7-17)18(11-12)23(20,21)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2/t12-,14-/m0/s1
InChIKeyWHZJZINCNMSWTQ-JSGCOSHPSA-N
XLogP0.65
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Unifiram
CID 9861054
4-{2-Oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl}morpholine
CID 747981
1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 3237390
[4-Chloro-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 4638266
4-[(4-Fluorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 17377878
N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2987913
N-Ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2989778
2-[4-(Benzenesulfonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 16318961
{1-[(4-Bromophenyl)sulfonyl]-2-pyrrolidinyl}(morpholino)methanone
CID 2768788
2-[(2-Benzenesulfonylamino-acetyl)-(2-morpholin-4-yl-ethyl)-amino]-pentanoic acid tert-butylamide
CID 3207185
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
CID 18562501
4-{1-[(4-Chlorophenyl)sulfonyl]prolyl}morpholine
CID 2936597

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110876009) is [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is WHZJZINCNMSWTQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c16-12-10-14(15(19)17-6-8-22-9-7-17)18(11-12)23(20,21)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2/t12-,14-/m0/s1.
What are the key properties of [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 342.39 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(benzenesulfonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110876009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).