4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine

C22H18Cl2F2N2OS — CID 23114741

IUPAC4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine
SMILESFc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2cc(N3CCOCC3)ncc2Cl)c1
InChIInChI=1S/C22H18Cl2F2N2OS/c23-14-1-4-16(5-2-14)30-22(18-11-15(25)3-6-20(18)26)17-12-21(27-13-19(17)24)28-7-9-29-10-8-28/h1-6,11-13,22H,7-10H2
InChIKeyWWPJBUAFHLAOGD-UHFFFAOYSA-N
MW467.37 g/mol
LogP6.38
Rot. Bonds5

About 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine

4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine (PubChem CID 23114741) has the molecular formula C22H18Cl2F2N2OS and a molecular weight of 467.37 g/mol. Its IUPAC name is 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine
PubChem CID23114741
Molecular FormulaC22H18Cl2F2N2OS
Molecular Weight467.37 g/mol
Exact Mass466.05
IUPAC Name4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine
SMILESFc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2cc(N3CCOCC3)ncc2Cl)c1
InChIInChI=1S/C22H18Cl2F2N2OS/c23-14-1-4-16(5-2-14)30-22(18-11-15(25)3-6-20(18)26)17-12-21(27-13-19(17)24)28-7-9-29-10-8-28/h1-6,11-13,22H,7-10H2
InChIKeyWWPJBUAFHLAOGD-UHFFFAOYSA-N
XLogP6.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.37
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine (CID 23114741) is 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine is Fc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2cc(N3CCOCC3)ncc2Cl)c1.
What is the InChIKey of 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine?
The InChIKey is WWPJBUAFHLAOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F2N2OS/c23-14-1-4-16(5-2-14)30-22(18-11-15(25)3-6-20(18)26)17-12-21(27-13-19(17)24)28-7-9-29-10-8-28/h1-6,11-13,22H,7-10H2.
What are the key properties of 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine?
4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine has a molecular weight of 467.37 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 23114741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).