[(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H20ClFN2O4S — CID 110876199

IUPAC[(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1C[C@@H](F)CN1S(=O)(=O)Cc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C16H20ClFN2O4S/c17-13-3-1-12(2-4-13)11-25(22,23)20-10-14(18)9-15(20)16(21)19-5-7-24-8-6-19/h1-4,14-15H,5-11H2/t14-,15-/m1/s1
InChIKeyIVOLSONFKLCBSQ-HUUCEWRRSA-N
MW390.86 g/mol
LogP1.44
Rot. Bonds4

About [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110876199) has the molecular formula C16H20ClFN2O4S and a molecular weight of 390.86 g/mol. Its IUPAC name is [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110876199
Molecular FormulaC16H20ClFN2O4S
Molecular Weight390.86 g/mol
Exact Mass390.08
IUPAC Name[(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1C[C@@H](F)CN1S(=O)(=O)Cc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C16H20ClFN2O4S/c17-13-3-1-12(2-4-13)11-25(22,23)20-10-14(18)9-15(20)16(21)19-5-7-24-8-6-19/h1-4,14-15H,5-11H2/t14-,15-/m1/s1
InChIKeyIVOLSONFKLCBSQ-HUUCEWRRSA-N
XLogP1.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.86
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110876199) is [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@H]1C[C@@H](F)CN1S(=O)(=O)Cc1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IVOLSONFKLCBSQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H20ClFN2O4S/c17-13-3-1-12(2-4-13)11-25(22,23)20-10-14(18)9-15(20)16(21)19-5-7-24-8-6-19/h1-4,14-15H,5-11H2/t14-,15-/m1/s1.
What are the key properties of [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 390.86 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-[(4-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110876199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).