4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine

C23H23FN2O4S — CID 146177522

IUPAC4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine
SMILESCOc1cncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C23H23FN2O4S/c1-29-22-11-19(14-25-15-22)18-10-21(26-6-8-30-9-7-26)13-23(12-18)31(27,28)16-17-2-4-20(24)5-3-17/h2-5,10-15H,6-9,16H2,1H3
InChIKeyQVCIRWYMHHEMFD-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.71
Rot. Bonds6

About 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine

4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine (PubChem CID 146177522) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine
PubChem CID146177522
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Name4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine
SMILESCOc1cncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C23H23FN2O4S/c1-29-22-11-19(14-25-15-22)18-10-21(26-6-8-30-9-7-26)13-23(12-18)31(27,28)16-17-2-4-20(24)5-3-17/h2-5,10-15H,6-9,16H2,1H3
InChIKeyQVCIRWYMHHEMFD-UHFFFAOYSA-N
XLogP3.71
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine?
The IUPAC name of 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine (CID 146177522) is 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine is COc1cncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)Cc3ccc(F)cc3)c2)c1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine?
The InChIKey is QVCIRWYMHHEMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-29-22-11-19(14-25-15-22)18-10-21(26-6-8-30-9-7-26)13-23(12-18)31(27,28)16-17-2-4-20(24)5-3-17/h2-5,10-15H,6-9,16H2,1H3.
What are the key properties of 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine?
4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine has a molecular weight of 442.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methylsulfonyl]-5-(5-methoxy-3-pyridinyl)phenyl]morpholine is sourced from PubChem (CID 146177522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).