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

C17H23FN2O4S — CID 110876038

IUPAC[(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23FN2O4S/c1-2-13-3-5-15(6-4-13)25(22,23)20-12-14(18)11-16(20)17(21)19-7-9-24-10-8-19/h3-6,14,16H,2,7-12H2,1H3/t14-,16-/m0/s1
InChIKeySXYHWPSNOCCJGF-HOCLYGCPSA-N
MW370.45 g/mol
LogP1.21
Rot. Bonds4

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

[(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110876038) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110876038
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name[(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23FN2O4S/c1-2-13-3-5-15(6-4-13)25(22,23)20-12-14(18)11-16(20)17(21)19-7-9-24-10-8-19/h3-6,14,16H,2,7-12H2,1H3/t14-,16-/m0/s1
InChIKeySXYHWPSNOCCJGF-HOCLYGCPSA-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 [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

4-[(E)-2-chloroethenyl]-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]benzene-1-sulfonamide
CID 16125613
4-Morpholin-4-yl-1-(4-pentyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10764871
4-[(4-Methylphenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6469994
N-tert-Butyl-4-(3-morpholin-4-yl-3-oxo-propyl)-benzenesulfonamide
CID 651639
1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-2-morpholin-4-yl-ethanone
CID 654303
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
N-isobutyl-4-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 1287984
4-methyl-N,N-bis[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name)
CID 2204445
4-({4-[3-Oxo-3-(1-pyrrolidinyl)propyl]phenyl}sulfonyl)morpholine
CID 2374147
1-[(4-Methylphenyl)sulfonyl]-5-[(4-methyl-1-piperazinyl)carbonyl]-2-pyrrolidinone
CID 2956144
1-[(4-Methylphenyl)sulfonyl]-5-(piperidin-1-ylcarbonyl)pyrrolidin-2-one
CID 2956252
1-{1-[(4-Methylphenyl)sulfonyl]prolyl}azepane
CID 2964486

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110876038) is [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is CCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)cc1.
What is the InChIKey of [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SXYHWPSNOCCJGF-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-2-13-3-5-15(6-4-13)25(22,23)20-12-14(18)11-16(20)17(21)19-7-9-24-10-8-19/h3-6,14,16H,2,7-12H2,1H3/t14-,16-/m0/s1.
What are the key properties of [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-1-(4-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 [(2S,4S)-1-(4-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110876038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).