4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine

C23H27F2NO3S — CID 58344182

IUPAC4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine
SMILESO=S(=O)(CC1CCC(N2CCOCC2)CC1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H27F2NO3S/c24-19-5-10-22(23(25)15-19)18-3-8-21(9-4-18)30(27,28)16-17-1-6-20(7-2-17)26-11-13-29-14-12-26/h3-5,8-10,15,17,20H,1-2,6-7,11-14,16H2
InChIKeyFIIFGRYREIWZRP-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.30
Rot. Bonds5

About 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine

4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine (PubChem CID 58344182) has the molecular formula C23H27F2NO3S and a molecular weight of 435.54 g/mol. Its IUPAC name is 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine
PubChem CID58344182
Molecular FormulaC23H27F2NO3S
Molecular Weight435.54 g/mol
Exact Mass435.17
IUPAC Name4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine
SMILESO=S(=O)(CC1CCC(N2CCOCC2)CC1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H27F2NO3S/c24-19-5-10-22(23(25)15-19)18-3-8-21(9-4-18)30(27,28)16-17-1-6-20(7-2-17)26-11-13-29-14-12-26/h3-5,8-10,15,17,20H,1-2,6-7,11-14,16H2
InChIKeyFIIFGRYREIWZRP-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine?
The IUPAC name of 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine (CID 58344182) is 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine is O=S(=O)(CC1CCC(N2CCOCC2)CC1)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine?
The InChIKey is FIIFGRYREIWZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO3S/c24-19-5-10-22(23(25)15-19)18-3-8-21(9-4-18)30(27,28)16-17-1-6-20(7-2-17)26-11-13-29-14-12-26/h3-5,8-10,15,17,20H,1-2,6-7,11-14,16H2.
What are the key properties of 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine?
4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine has a molecular weight of 435.54 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine is sourced from PubChem (CID 58344182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).