[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

C17H23FN2O4S — CID 110876197

IUPAC[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1ccccc1S(=O)(=O)N1C[C@H](F)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H23FN2O4S/c1-2-13-5-3-4-6-16(13)25(22,23)20-12-14(18)11-15(20)17(21)19-7-9-24-10-8-19/h3-6,14-15H,2,7-12H2,1H3/t14-,15-/m1/s1
InChIKeyYOSFQEJNNADJMZ-HUUCEWRRSA-N
MW370.45 g/mol
LogP1.21
Rot. Bonds4

About [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110876197) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110876197
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1ccccc1S(=O)(=O)N1C[C@H](F)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H23FN2O4S/c1-2-13-5-3-4-6-16(13)25(22,23)20-12-14(18)11-15(20)17(21)19-7-9-24-10-8-19/h3-6,14-15H,2,7-12H2,1H3/t14-,15-/m1/s1
InChIKeyYOSFQEJNNADJMZ-HUUCEWRRSA-N
XLogP1.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpropanenitrile
CID 120963335
[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol
CID 126831492
(2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 110876045
[4-chloro-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 4638266
[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831
3,4-dihydro-1H-isoquinolin-2-yl-[4-fluoro-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 171141797
[(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929180
[(2S,4S)-1-(4-bromophenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110876154
[(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120949392
[(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929244
N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide
CID 134085239
[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929256

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110876197) is [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is CCc1ccccc1S(=O)(=O)N1C[C@H](F)C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is YOSFQEJNNADJMZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-2-13-5-3-4-6-16(13)25(22,23)20-12-14(18)11-15(20)17(21)19-7-9-24-10-8-19/h3-6,14-15H,2,7-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 370.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110876197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).