[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H21FN2O4S — CID 110286067

IUPAC[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C16H21FN2O4S/c1-12-11-13(17)4-5-15(12)24(21,22)19-6-2-3-14(19)16(20)18-7-9-23-10-8-18/h4-5,11,14H,2-3,6-10H2,1H3/t14-/m0/s1
InChIKeyXWERQIIPPUCHAU-AWEZNQCLSA-N
MW356.42 g/mol
LogP1.15
Rot. Bonds3

About [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110286067) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110286067
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C16H21FN2O4S/c1-12-11-13(17)4-5-15(12)24(21,22)19-6-2-3-14(19)16(20)18-7-9-23-10-8-18/h4-5,11,14H,2-3,6-10H2,1H3/t14-/m0/s1
InChIKeyXWERQIIPPUCHAU-AWEZNQCLSA-N
XLogP1.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307385
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
[(2S)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110286074
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 47017134
3-(4-fluoro-2-methylphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739875
[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285952
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 30128027
N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 34100038
(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 51888037
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 110284731
[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 55601195
[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586366

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110286067) is [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is XWERQIIPPUCHAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c1-12-11-13(17)4-5-15(12)24(21,22)19-6-2-3-14(19)16(20)18-7-9-23-10-8-18/h4-5,11,14H,2-3,6-10H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 356.42 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110286067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).